SCHEMBL4630359

SCHEMBL4630359

CCCCCOC(=O)c1[c]cccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.61
MAPK1 P28482 3/20 0.61
CYP3A4 P08684 2/20 0.61
TP53 P04637 1/20 0.61
ALDH1A1 P00352 7/20 0.59
LMNA P02545 3/20 0.59
TDP1 Q9NUW8 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
HSD17B10 Q99714 2/20 0.52
KDM4E B2RXH2 2/20 0.52
POLB P06746 1/20 0.52
CNR2 P34972 1/20 0.48
MMP1 P03956 1/20 0.48
MMP9 P14780 1/20 0.48
MMP12 P39900 1/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
MMP2 P08253 1/20 0.46
PPARG P37231 2/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4623124 0.98 ALDH1A1 (0.62) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL4698719 0.98 ALDH1A1 (0.62) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL5145803 0.98 ALDH1A1 (0.62) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL5144058 0.98 ALDH1A1 (0.62) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL4630885 0.98 ALDH1A1 (0.62) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL131719 0.95 TSHR (0.60) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL130905 0.89 ALDH1A1 (0.58) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL11416341 0.85 TSHR (0.49) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL5147088 0.85 TSHR (0.49) TSHRMAPK1CYP3A4TP53ALDH1A1
SCHEMBL10445790 0.84 TSHR (0.49) TSHRMAPK1CYP3A4TP53ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100462069-C Valproic acid derivatives for the treatment of pain YISSUM RES DEV CO (IL) 2009-02-18 CN claimed
CN-1551762-A Valproic acid derivatives for the treatment of pain ������ҩ��ҵ���޹�˾ 2004-12-01 CN claimed
CN-1446097-A Use of derivatives of valproic acid and 2-propylpentenoic acid amide for the treatment of mania in bipolar disorder TEVA PHARMA (IL) 2003-10-01 CN claimed
CN-1418869-A 2-propyl valeramide and 2-propyl pentaenuylamide derivative and application used as anti-convulsion medicine YISSUN RES DEV CO OF THE HEBRE (IL) 2003-05-21 CN claimed
CN-1106379-C 2-propylvaleramide and 2-propylpentenamide derivatives and their use as anticonvulsants YISSUM RES DEV CO (IL) 2003-04-23 CN claimed
CN-1111907-A 2-propylvaleramide and 2-propylpentenamide derivatives and their use as anticonvulsants YISSUM RES DEV CO (IL) 1995-11-15 CN claimed
US-11886119-B2 Material for forming underlayer film, resist underlayer film, method of producing resist underlayer film, and laminate MITSUI CHEMICALS, INC. (JP) 2024-01-30 US disclosed
CN-110709774-B Underlayer film forming material, resist underlayer film, method for producing resist underlayer film, and laminate 三井化学株式会社 2023-12-08 CN disclosed
US-20230185195-A1 MATERIAL FOR FORMING UNDERLAYER FILM, RESIST UNDERLAYER FILM, METHOD OF PRODUCING RESIST UNDERLAYER FILM, AND LAMINATE MITSUI CHEMICALS, INC. (JP) 2023-06-15 US disclosed
US-11599025-B2 Resin material for forming underlayer film, resist underlayer film, method of producing resist underlayer film, and laminate MITSUI CHEMICALS, INC. (JP) 2023-03-07 US disclosed
US-20220050379-A1 MATERIAL FOR FORMING UNDERLAYER FILM, RESIST UNDERLAYER FILM, AND LAMINATE MITSUI CHEMICALS, INC. (JP) 2022-02-17 US disclosed
EP-3922456-A1 MATERIAL FOR UNDERLAYER FILM FORMATION USE, RESIST UNDERLAYER FILM, AND LAMINATE Mitsui Chemicals, Inc. (JP) 2021-12-15 EP disclosed
CN-113365820-A Material for forming underlayer film, resist underlayer film, and laminate 三井化学株式会社 2021-09-07 CN disclosed
CN-1418869-A 2-propyl valeramide and 2-propyl pentaenuylamide derivative and application used as anti-convulsion medicine YISSUN RES DEV CO OF THE HEBRE (IL) 2003-05-21 CN disclosed
CN-1106379-C 2-propylvaleramide and 2-propylpentenamide derivatives and their use as anticonvulsants YISSUM RES DEV CO (IL) 2003-04-23 CN disclosed
CN-1104418-C Benzoheterocyclic derivatives OTSUKA PHARMA CO LTD (JP) 2003-04-02 CN disclosed
CN-1150799-A Benzoheterocyclic derivatives OTSUKA PHARMA CO LTD (JP) 1997-05-28 CN disclosed
CN-1111907-A 2-propylvaleramide and 2-propylpentenamide derivatives and their use as anticonvulsants YISSUM RES DEV CO (IL) 1995-11-15 CN disclosed
US-4202814-A AZO DYES GIVING FAST RED COLOR CIBA-GEIGY CORPORATION (US) 1980-05-13 US disclosed
US-4198205-A SULFONIC ACID-FREE DISPERSE DYES BASF AKTIENGESELLSCHAFT (DE) 1980-04-15 US disclosed