SCHEMBL8937536

SCHEMBL8937536

COc1ccc(C(O)(c2ccc(OC)cc2)C(C)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.47
KIF11 P52732 3/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CYP17A1 P05093 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 2/20 0.44
MAPT P10636 1/20 0.44
PTGS2 P35354 3/20 0.42
PTGS1 P23219 2/20 0.42
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
CDC42 P60953 1/20 0.42
RAC1 P63000 1/20 0.42
TSHR P16473 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
APEX1 P27695 1/20 0.42

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
SCHEMBL8937418 0.80 ALDH1A1 (0.44) CYP17A1CYP3A4ALDH1A1MAPTTSHR
SCHEMBL13498008 0.79 CYP3A4 (0.58) CA1CA2CYP17A1CYP3A4ALDH1A1
SCHEMBL4338684 0.76 MAPT (0.45) CA1CA2CYP17A1CYP3A4ALDH1A1
SCHEMBL1152748 0.76 CYP3A4 (0.48) KIF11CA1CA2CYP17A1CYP3A4
SCHEMBL1152745 0.76 CYP3A4 (0.48) KIF11CA1CA2CYP17A1CYP3A4
1,4-Dimethoxybenzene SCHEMBL27728351 0.74 LDHA (0.59) LDHACA1CA2ALDH1A1CYP1A2
SCHEMBL1153877 0.74 CYP3A4 (0.47) KIF11CA1CA2CYP17A1CYP3A4
Hydrochloric Acid SCHEMBL29480448 0.74 CYP3A4 (0.47) KIF11CA1CA2CYP17A1CYP3A4
SCHEMBL1153873 0.74 CYP3A4 (0.47) KIF11CA1CA2CYP17A1CYP3A4
SCHEMBL3860909 0.73 LDHA (0.42) LDHAKIF11CA1CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5559109-A Method of treating a PAF-mediated pathology or for treating or preventing psoriasis, nephritis, asthma or shock by administering a PAF antagonist SANKKO COMPANY, LIMITED (JP) 1996-09-24 US disclosed
US-5556852-A PLATELET ACTIVATING FACTOR ANTAGONISTS SANKYO COMPANY, LIMITED (JP) 1996-09-17 US disclosed
US-5369106-A N-acryloylpiperazine derivatives, their preparation and their use of PAF antagonists SANKYO COMPANY, LIMITED (JP) 1994-11-29 US disclosed
US-5192766-A Platelet activating factor antagonist SANKYO COMPANY, LIMITED (JP) 1993-03-09 US disclosed