SCHEMBL9312463

SCHEMBL9312463

CC1(C)CC(=O)Nc2cc(NC(=O)/C=C/c3ccc(O)cc3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.56
MMP1 P03956 13/20 0.53
MMP2 P08253 13/20 0.53
MMP9 P14780 13/20 0.53
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
RARB P10826 1/20 0.48
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
DEGS1 O15121 1/20 0.47

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
SCHEMBL9312470 1.00 TRPV1 (0.56) TRPV1MMP1MMP2MMP9HDAC3
SCHEMBL9313377 0.90 MAPT (0.55) TRPV1MMP1MMP2MMP9HDAC3
SCHEMBL9313383 0.90 MAPT (0.55) TRPV1MMP1MMP2MMP9HDAC3
SCHEMBL9313168 0.89 MAPT (0.55) TRPV1MMP1MMP2MMP9
SCHEMBL9313174 0.89 MAPT (0.55) TRPV1MMP1MMP2MMP9
SCHEMBL9314210 0.88 TRPV1 (0.53) TRPV1HDAC3HDAC4HDAC1HDAC2
SCHEMBL9314251 0.88 TRPV1 (0.60) TRPV1HDAC3HDAC4HDAC1HDAC2
SCHEMBL9312240 0.88 TRPV1 (0.52) TRPV1HDAC3HDAC4HDAC1HDAC2
SCHEMBL9312235 0.88 TRPV1 (0.52) TRPV1HDAC3HDAC4HDAC1HDAC2
SCHEMBL9313184 0.88 TRPV1 (0.52) TRPV1HDAC3HDAC4HDAC1HDAC2

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-5373019-A Pharmaceutical lactam compositions for inhibition of erythrocyte and thrombocyte aggregation BOEHRINGER MANNHEIM GMBH (DE) 1994-12-13 US disclosed
US-4985448-A Ureidoindoles, pharmaceutical compositions and methods for erythrocyte and thrombocyte aggregation inhibition BOEHRINGER MANNHEIM GMBH (DE) 1991-01-15 US disclosed