SCHEMBL9693192

SCHEMBL9693192

O=C1C=CC(c2ccccc2)c2ccccc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.40
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
GAA P10253 2/20 0.36
ALDH1A1 P00352 3/20 0.36
ATM Q13315 1/20 0.36
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34

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
SCHEMBL16116061 0.78 LMNA (0.33) LMNAMEN1KMT2AMAPTGAA
SCHEMBL1354899 0.71 ALDH1A1 (0.36) CYP2C9LMNAMEN1KMT2AMAPT
SCHEMBL9844880 0.70 MAOA (0.38) CYP2C9LMNAMEN1KMT2AMAPT
SCHEMBL1028466 0.67 HTR2A (0.39) LMNAALDH1A1ATMHSD17B10KDM4E
SCHEMBL501810 0.67 GAA (0.65) CYP2C9LMNAMEN1KMT2AMAPT
Ammonia Solution, Strong SCHEMBL21245914 0.66 HTR2A (0.38) LMNAALDH1A1ATMHSD17B10KDM4E
SCHEMBL9145856 0.66 HTR2A (0.38) LMNAALDH1A1ATMHSD17B10KDM4E
Methane SCHEMBL28813011 0.66 HTR2A (0.38) LMNAALDH1A1ATMHSD17B10KDM4E
SCHEMBL9145143 0.66 HTR2A (0.38) LMNAALDH1A1ATMHSD17B10KDM4E
Lithium SCHEMBL9145147 0.66 HTR2A (0.38) LMNAALDH1A1ATMHSD17B10KDM4E

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
EP-0187524-B1 A DIARYL BUTYRIC ACID DERIVATIVE AND THE PRODUCTION PROCESS THEREOF SUNTORY LIMITED (JP) 1992-07-29 EP disclosed
US-4766116-A NERVOUS SYSTEM DISORDERS SUNTORY LIMITED (JP) 1988-08-23 US disclosed
EP-0187524-A2 A diaryl butyric acid derivative and the production process thereof SUNTORY LIMITED (JP) 1986-07-16 EP disclosed