SCHEMBL9375152

SCHEMBL9375152

CC1C(=O)Nc2cc(OC(=O)O)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.40
BMPR1B O00238 1/20 0.38
BMPR1A P36894 1/20 0.38
TGFBR1 P36897 1/20 0.38
ACVRL1 P37023 1/20 0.38
ACVR1 Q04771 1/20 0.38
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MMP1 P03956 1/20 0.35
MMP12 P39900 1/20 0.35
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 2/20 0.33

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
SCHEMBL9376526 0.81 MAOB (0.45) ALDH1A1MMP1MMP12TP53LMNA
SCHEMBL9376612 0.81 PGR (0.43) PGRKDM4EALDH1A1SMN1; SMN2USP2
SCHEMBL4848196 0.81 CA2 (0.47) PGRBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL9375554 0.79 IDO1 (0.38) TP53LMNA
SCHEMBL9773848 0.76 POLB (0.57) PGRBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL24112743 0.72 PGR (0.46) PGRBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL13091038 0.72 PGR (0.46) PGRBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL24112740 0.70 PGR (0.45) PGRBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL2239581 0.70 PGR (0.45) PGRBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL24112918 0.70 PGR (0.60) PGRBMPR1BBMPR1ATGFBR1ACVRL1

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
EP-0344634-B1 Bicyclic carboxamides, process for their preparation and medicaments containing them BOEHRINGER MANNHEIM GMBH (DE) 1994-03-30 EP disclosed
EP-0344634-A1 Bicyclic carboxamides, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1989-12-06 EP disclosed