SCHEMBL9312296

SCHEMBL9312296

CC1(C)C(=O)Nc2cc(NC(=O)C=Cc3ccc(O)cc3)ccc21

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 14/20 0.57
MMP2 P08253 14/20 0.57
MMP9 P14780 14/20 0.57
TRPV1 Q8NER1 2/20 0.51
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
DEGS1 O15121 1/20 0.50
KDM1A O60341 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
TOP2A P11388 1/20 0.45

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
SCHEMBL9312300 1.00 MMP1 (0.57) MMP1MMP2MMP9TRPV1MAOA
SCHEMBL9312217 0.89 MAPT (0.58) MMP1MMP2MMP9MAOAMAOB
SCHEMBL10478111 0.89 MAPT (0.58) MMP1MMP2MMP9MAOAMAOB
SCHEMBL10588017 0.88 MAPT (0.58) MMP1MMP2MMP9TRPV1KDM4E
SCHEMBL10588022 0.88 MAPT (0.58) MMP1MMP2MMP9TRPV1KDM4E
SCHEMBL10588239 0.87 MAOB (0.56) TRPV1MAOBMAPT
SCHEMBL10587855 0.87 TRPV1 (0.48) TRPV1KDM4EALDH1A1MAPT
SCHEMBL10585350 0.87 MAOB (0.54) TRPV1MAOAMAOBKDM4EALDH1A1
SCHEMBL10587854 0.87 TRPV1 (0.48) TRPV1KDM4EALDH1A1MAPT
SCHEMBL9312463 0.83 TRPV1 (0.56) MMP1MMP2MMP9TRPV1MAOA

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 3 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
EP-0327986-A2 Medicaments containing lactams, substituted lactams and process for their preparation Roche Diagnostics GmbH (DE) 1989-08-16 EP disclosed