SCHEMBL8356503

SCHEMBL8356503

O=C(CCCc1cccc(O)c1)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HDAC6 Q9UBN7 2/20 0.51
CASP1 P29466 1/20 0.48
AKR1B10 O60218 1/20 0.48
AKR1B1 P15121 1/20 0.48
IDO1 P14902 1/20 0.48
OPRK1 P41145 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HDAC3 O15379 1/20 0.46
ADRA1A P35348 1/20 0.46
HDAC4 P56524 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC1 Q13547 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46

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
SCHEMBL56986 0.91 TDP1 (0.59) MAPK1L3MBTL1ALDH1A1IDO1OPRK1
SCHEMBL14368556 0.87 TDP1 (0.61) MAPK1L3MBTL1ALDH1A1HDAC6CASP1
SCHEMBL3906464 0.85 ALOX5 (0.56) HDAC6SMN1; SMN2ALOX5TYR
SCHEMBL14793821 0.84 TRPV1 (0.57) MAPK1L3MBTL1ALDH1A1HDAC6CASP1
SCHEMBL8350924 0.84 CYP4F2 (0.60) ALDH1A1HDAC6HDAC3HDAC1SMN1; SMN2
SCHEMBL19889918 0.83 ALOX5 (0.57) MAPK1L3MBTL1ALDH1A1CASP1TDP1
SCHEMBL19007852 0.82 ALDH1A1 (0.59) MAPK1L3MBTL1ALDH1A1HDAC6CASP1
SCHEMBL18673 0.82 ALDH1A1 (0.68) MAPK1L3MBTL1ALDH1A1TDP1LMNA
SCHEMBL3963428 0.82 ALDH1A1 (0.68) MAPK1L3MBTL1ALDH1A1TDP1LMNA
SCHEMBL28151357 0.81 HDAC6 (0.57) ALDH1A1HDAC6AKR1B10AKR1B1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1283658-C Proline ester and transdermal preparation containing the same TOAEIYO LTD (JP) 2006-11-08 CN disclosed
CN-1681839-A Proline ester and transdermal preparation containing the same TOAEIYO LTD (JP) 2005-10-12 CN disclosed
US-5935985-A Phenoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1999-08-10 US disclosed
CN-1196731-A Di-glycosylated 1, 2-diols as mimetics of sialyl-lewis X and sialyl-lewis A NOVARTIS AG (CH) 1998-10-21 CN disclosed
US-5703099-A TREATMENT OF THROMBOSIS, ARTERIOSCLEROSIS, ISCHEMIC HEART DISEASES, GASTRIC ULCER OR HYPERTENSION ONO PHARMACEUTICAL CO., LTD. (JP) 1997-12-30 US disclosed
EP-0558062-B1 Phenoxyacetic acid derivatives and pharmaceutical compositions containing them ONO PHARMACEUTICAL CO (JP) 1997-05-07 EP disclosed
US-5536736-A CARDIOVASCULAR DISORDERS ONO PHARMACEUTICAL CO., LTD. (JP) 1996-07-16 US disclosed
US-5378716-A Prostaglandin agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1995-01-03 US disclosed
EP-0558062-A2 Phenoxyacetic acid derivatives and pharmaceutical compositions containing them ONO PHARMACEUTICAL CO., LTD. (JP) 1993-09-01 EP disclosed
CN-1019803-B 1,3, the preparation method of 4-thiadiazoles derivative FISONS PLC (GB) 1992-12-30 CN disclosed
CN-87101916-A The preparation method of pharmaceutically active compounds 1988-08-24 CN disclosed