SCHEMBL9615329

SCHEMBL9615329

Oc1ccccc1OCc1ccc(Cl)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.57
FABP4 P15090 1/20 0.57
FABP5 Q01469 1/20 0.57
IDO1 P14902 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
MRGPRX4 Q96LA9 1/20 0.50
MAPT P10636 6/20 0.49
ALDH1A1 P00352 4/20 0.49
NR4A2 P43354 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
NR4A1 P22736 1/20 0.49
NR4A3 Q92570 1/20 0.49
PTGER1 P34995 3/20 0.48
ATM Q13315 1/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
GAA P10253 3/20 0.48
MEN1 O00255 2/20 0.47

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
SCHEMBL4600472 0.85 FABP3 (0.55) FABP3FABP4FABP5IDO1HDAC8
SCHEMBL3920119 0.83 MAPT (0.59) FABP4FABP5IDO1HDAC8MAPT
SCHEMBL11711706 0.81 MRGPRX4 (0.65) MRGPRX4MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL12301132 0.81 PTGER1 (0.54) FABP3FABP4FABP5IDO1HDAC8
SCHEMBL2557709 0.80 ENPP2 (0.63) FABP3FABP4FABP5IDO1HDAC8
SCHEMBL5839484 0.79 FABP3 (0.78) FABP3FABP4FABP5HDAC8MRGPRX4
SCHEMBL9825372 0.78 FABP3 (0.57) FABP3FABP4FABP5IDO1HDAC8
SCHEMBL9414542 0.78 FABP4 (0.51) FABP3FABP4FABP5IDO1HDAC8
SCHEMBL9824901 0.78 FABP3 (0.64) FABP3FABP4FABP5HDAC8MRGPRX4
SCHEMBL8371564 0.77 POLB (0.54) FABP3FABP4FABP5IDO1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4029955-A None JP disclosed
JP-H0429955-A HALOGEN-SUBSTITUTED HYDROXYPHENYL BENZYL ETHERS WAKAYAMA PREF GOV 1992-01-31 JP disclosed
US-4563526-A PROSTAGLANDIN-SYNTHETASE INHIBITORS FORSYTH DENTAL INFIRMARY FOR CHILDREN (US) 1986-01-07 US disclosed
US-RE31624-E INHIBITORS OF PROSTAGLANDIN SYNTHESIS FORSYTH DENTAL INFIRMARY FOR CHILDREN (US) 1984-07-03 US disclosed
US-4244956-A PROSTAGLANDIN SYNTHESIS INHIBITORS FORSYTH DENTAL INFIRMARY FOR CHILDREN (US) 1981-01-13 US disclosed