SCHEMBL125941

SCHEMBL125941

CCCCOC(=O)c1c[c]ccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
ESR1 P03372 7/20 0.55
TSHR P16473 4/20 0.55
LMNA P02545 4/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
MAPK1 P28482 2/20 0.55
CYP2D6 P10635 1/20 0.55
NR1H2 P55055 1/20 0.55
RNASEL Q05823 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TDP1 Q9NUW8 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 1/20 0.54
PDE4D Q08499 1/20 0.54
HPGD P15428 1/20 0.49
RECQL P46063 1/20 0.49
TP53 P04637 1/20 0.49
STS P08842 1/20 0.48
NPC1 O15118 1/20 0.48

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
SCHEMBL5541610 0.95 LMNA (0.56) L3MBTL1ESR1TSHRLMNACYP1A2
SCHEMBL8942795 0.94 LMNA (0.58) L3MBTL1ESR1TSHRLMNAMAPK1
SCHEMBL11256444 0.94 LMNA (0.58) L3MBTL1ESR1TSHRLMNAMAPK1
SCHEMBL11432356 0.94 LMNA (0.58) L3MBTL1ESR1TSHRLMNAMAPK1
SCHEMBL5534624 0.94 LMNA (0.58) L3MBTL1ESR1TSHRLMNAMAPK1
SCHEMBL5145665 0.94 LMNA (0.58) L3MBTL1ESR1TSHRLMNAMAPK1
SCHEMBL127761 0.90 LMNA (0.64) L3MBTL1ESR1TSHRLMNACYP1A2
SCHEMBL128588 0.83 CA12 (0.50) ESR1TSHRLMNACYP1A2SMN1; SMN2
SCHEMBL9070423 0.83 SMN1; SMN2 (0.51) L3MBTL1ESR1TSHRLMNASMN1; SMN2
SCHEMBL8171785 0.83 TSHR (0.53) L3MBTL1ESR1TSHRLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101935301-A Modulators of ATP-binding cassette transporters VERTEX PHARMA 2011-01-05 CN claimed
CN-101891680-A The adjusting control agent of ATP- combination cassette transporters VERTEX PHARMA 2010-11-24 CN claimed
CN-107501099-A The adjusting control agent of ATP combination cassette transporters 沃泰克斯药物股份有限公司 2017-12-22 CN disclosed
CN-104788328-B The adjusting control agent of ATP combination cassette transporters 沃泰克斯药物股份有限公司 2017-09-12 CN disclosed
CN-103641765-B ATP-combines the adjusting control agent of cassette transporters 沃泰克斯药物股份有限公司 2016-08-17 CN disclosed
CN-104788328-A Modulators of ATP-binding cassette transporters VERTEX PHARMA 2015-07-22 CN disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
CN-101522657-B STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO.,LTD. (JP) 2014-10-15 CN disclosed
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
US-8617724-B2 Polymer compound and light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-31 US disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
US-4077967-A 6-Substituted penicillanic acid and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1978-03-07 US disclosed
US-4061629-A 6-Amino-6-arylthio penicillanic acids and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1977-12-06 US disclosed
US-4061851-A 7-Amino-7-arylthio cephalosporins E. R. SQUIBB & SONS, INC. (US) 1977-12-06 US disclosed
US-4029669-A 6-Benzalimino-6-arylthio penicillanic acids and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1977-06-14 US disclosed
US-4026886-A 7-Acyl-7-arylthiocephalosporins E. R. SQUIBB & SONS, INC. (US) 1977-05-31 US disclosed
US-3994912-A INTERMEDIATES E. R. SQUIBB & SONS, INC. (US) 1976-11-30 US disclosed
US-3990896-A YELLOW COLOR FORMING COUPLERS WITH 5-ALKYLIDINE-3-HYDANTOINYL GROUPS FUJI PHOTO FILM CO., LTD. (JA) 1976-11-09 US disclosed
US-3965093-A 6-Arylthio penicillanic acid and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1976-06-22 US disclosed
US-3954744-A ANTIBACTERIAL E. R. SQUIBB & SONS, INC. (US) 1976-05-04 US disclosed