SCHEMBL10399340

SCHEMBL10399340

COc1cccc(C=CC=CC(=O)Oc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
ALDH1A1 P00352 2/20 0.58
LMNA P02545 1/20 0.58
KMT2A Q03164 3/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MEN1 O00255 2/20 0.53
GAA P10253 2/20 0.53
KDM4E B2RXH2 1/20 0.53
TRPV1 Q8NER1 1/20 0.53
FBP1 P09467 1/20 0.52
NFE2L2 Q16236 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
MAOA P21397 2/20 0.49
COMT P21964 1/20 0.49
MAOB P27338 2/20 0.49
TXNRD1 Q16881 1/20 0.49
TXNRD3 Q86VQ6 1/20 0.49
TXNRD2 Q9NNW7 1/20 0.49

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
SCHEMBL9522585 0.92 MAPT (0.65) MAPTALDH1A1LMNAKMT2ANPC1
SCHEMBL9522581 0.92 MAPT (0.65) MAPTALDH1A1LMNAKMT2ANPC1
SCHEMBL9589680 0.87 MAOB (0.64) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL9589678 0.87 MAOB (0.64) MAPTALDH1A1KMT2ANPC1RAB9A
SCHEMBL10670204 0.85 MAOB (0.51) MAPTALDH1A1LMNAKMT2ANPC1
SCHEMBL10398009 0.85 FBP1 (0.47) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL9523652 0.84 CYP1B1 (0.56) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL9523646 0.84 CYP1B1 (0.56) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL9525619 0.84 PTGS2 (0.64) MAPTALDH1A1LMNAKMT2ANPC1
SCHEMBL9525625 0.84 PTGS2 (0.64) MAPTALDH1A1LMNAKMT2ANPC1

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
US-4975438-A ANTICOAGULANT HOFFMANN-LA ROCHE INC. (US) 1990-12-04 US disclosed
US-4788206-A CARDIOVASCULAR DISORDERS, PLATELETS HOFFMANN-LA ROCHE INC. (US) 1988-11-29 US disclosed