SCHEMBL28085690

SCHEMBL28085690

CCCOc1ccc(OC(=O)CC)c(OCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44
PPARG P37231 1/20 0.44
MAOB P27338 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
MTNR1A P48039 1/20 0.43
FFAR1 O14842 2/20 0.43
PPARD Q03181 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPT P10636 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL18066374 0.89 PTPN1 (0.51) AKR1C3NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL28205234 0.87 MTNR1A (0.56) AKR1C3NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL15547831 0.85 ALOX15 (0.53) SMN1; SMN2KMT2ALMNAALOX15
SCHEMBL18066371 0.84 PTPN1 (0.51) AKR1C3PTGESALOX5PPARGMAOB
SCHEMBL27539388 0.82 KDM4E (0.57) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL10799614 0.82 NPC1 (0.57) NPC1RAB9ASMN1; SMN2HPGDMTNR1A
SCHEMBL28085736 0.82 ALOX15 (0.54) AKR1C3NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL3804975 0.81 NPC1 (0.54) NPC1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL28085586 0.81 AKR1C3 (0.54) AKR1C3NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL15556821 0.80 ALOX15 (0.53) SMN1; SMN2ALOX15

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109476676-A Optical activity pyrans and chromene base phenol derivatives and the pharmaceutical composition comprising it 格拉斯如睦株式会社 2019-03-15 CN disclosed
CN-105849111-B Pyrans and the different cresol derivatives of baynide fibre and metabolic syndrome or treatment of inflammatory diseases pharmaceutical composition 格拉斯如睦株式会社 2018-05-04 CN disclosed
CN-105849111-A Pyranochromenyl phenol derivative, and pharmaceutical composition for treating metabolic syndrome or inflammatory disease 依如睦生物科技株式会社 2016-08-10 CN disclosed