SCHEMBL8362192

SCHEMBL8362192

COCc1ccc(-c2ccc(C=O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.53
ALDH1A1 P00352 5/20 0.47
CYP2A6 P11509 2/20 0.47
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
DRD1 P21728 1/20 0.43
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTGS2 P35354 1/20 0.41
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41
ALDH1A3 P47895 2/20 0.39
ALDH3A1 P30838 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 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
SCHEMBL3146081 0.94 ALDH1A1 (0.52) ERN1ALDH1A1CYP2A6LMNAMAPT
SCHEMBL5001639 0.83 ERN1 (0.44) ERN1ALDH1A1CYP2A6LMNAMAPT
SCHEMBL5001640 0.83 ERN1 (0.44) ERN1ALDH1A1CYP2A6LMNAMAPT
SCHEMBL10798975 0.83 ALDH1A3 (0.43) ERN1ALDH1A1CYP2A6LMNAMAPT
SCHEMBL12152655 0.83 NPC1 (0.52) ERN1ALDH1A1SMN1; SMN2DRD1RAB9A
SCHEMBL198803 0.82 ERN1 (0.47) ERN1TDP1PTGS2MAOBCHEK1
SCHEMBL8728237 0.80 ALDH1A1 (0.44) ERN1ALDH1A1MAPTSMN1; SMN2TDP1
SCHEMBL5888430 0.80 ALDH1A1 (0.44) ERN1ALDH1A1MAPTSMN1; SMN2TDP1
SCHEMBL8731436 0.78 LMNA (0.48) ERN1ALDH1A1LMNAPTGS2MAOB
SCHEMBL8727776 0.78 LMNA (0.48) ERN1ALDH1A1LMNAPTGS2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11116647-A None JP disclosed
JP-H11116647-A BIPHENYLNOVOLAK CONDENSATE MEIWA KASEI KK 1999-04-27 JP disclosed