SCHEMBL8961374

SCHEMBL8961374

CCCc1ccc(Oc2cccc(N)c2)c(C)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
TP53 P04637 1/20 0.45
MAOB P27338 2/20 0.44
TSHR P16473 1/20 0.43
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPT P10636 1/20 0.40
SKP2 Q13309 1/20 0.40
APP P05067 1/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL8415231 0.84 CYP19A1 (0.45) ALDH1A1POLBMAPTSKP2CYP19A1
SCHEMBL8961346 0.82 MAPT (0.49) CYP3A4TP53MAOBTSHRFFAR1
SCHEMBL8364512 0.82 MAOB (0.56) CYP3A4TP53MAOBTSHRALDH1A1
SCHEMBL7569937 0.81 MAOB (0.55) CYP3A4TP53MAOBTSHRALDH1A1
SCHEMBL9297209 0.81 ALDH1A1 (0.46) TP53TSHRALDH1A1POLBHSP90AA1
SCHEMBL3151082 0.80 MAOB (0.59) CYP3A4TP53MAOBTSHRALDH1A1
SCHEMBL30994908 0.79 MAOB (0.52) CYP3A4TP53MAOBALDH1A1POLB
SCHEMBL26102576 0.79 MAOB (0.52) CYP3A4TP53MAOBALDH1A1POLB
SCHEMBL5604536 0.79 MAOB (0.52) CYP3A4TP53MAOBTSHRALDH1A1
SCHEMBL2997554 0.76 ALDH1A1 (0.53) CYP3A4TP53MAOBALDH1A1POLB

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
US-5514748-A POLYMER FOR SLIDING CONTAINING PHENOLIC RESINS AND LUBRICANTS WITH POLYIMIDES MITSUI TOATSU CHEMICALS, INC. (JP) 1996-05-07 US disclosed