SCHEMBL764338

SCHEMBL764338

CC(=O)c1c(OCc2ccc(F)cc2)ccc(C)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.51
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
MAOA P21397 1/20 0.49
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 2/20 0.44
RAB9A P51151 1/20 0.44
PPARA Q07869 3/20 0.44
MEN1 O00255 1/20 0.43
TBXA2R P21731 1/20 0.43
PTGER1 P34995 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 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
SCHEMBL757245 0.85 MAOB (0.56) MAOBFFAR1FFAR4MAOAMAPT
SCHEMBL755668 0.80 MAOB (0.77) MAOBMAOAMAPTL3MBTL1KMT2A
SCHEMBL756911 0.76 MAOB (0.57) MAOBFFAR1FFAR4MAOAMAPT
SCHEMBL20463320 0.71 MAOB (0.64) MAOBFFAR1FFAR4MAOAKMT2A
SCHEMBL19155129 0.71 FFAR4 (0.68) MAOBFFAR1FFAR4MAPTSMN1; SMN2
SCHEMBL18633500 0.70 MAOB (0.72) MAOBMAOA
SCHEMBL14110232 0.70 MAPT (0.57) MAOBFFAR4MAPTCYP2C9CYP2C19
SCHEMBL20463444 0.69 ALDH1A1 (0.62) MAOBFFAR1FFAR4MAPTCYP2C9
SCHEMBL4947232 0.69 MAOB (0.61) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL12301123 0.69 RXRA (0.63) MAOBFFAR1FFAR4MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed