SCHEMBL8360671

SCHEMBL8360671

O=C1CCCc2ccc(OC(C(=O)O)c3ccccc3)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.55
MAOB P27338 8/20 0.55
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP2A6 P11509 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
PPARA Q07869 2/20 0.39
CHRM1 P11229 1/20 0.39
PPARG P37231 1/20 0.39
GRM5 P41594 1/20 0.38

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
SCHEMBL23795004 0.78 MAOA (0.57) MAOAMAOBCYP2A6
SCHEMBL23795003 0.78 MAOA (0.57) MAOAMAOBCYP2A6
SCHEMBL30995080 0.78 MAOA (0.57) MAOAMAOBCYP2A6
SCHEMBL29243215 0.77 MAOA (0.55) MAOAMAOBCYP2A6MEN1KMT2A
SCHEMBL7972644 0.76 SMN1; SMN2 (0.56) MAOAMAOBMEN1KMT2APPARA
SCHEMBL9688253 0.76 MAOA (0.57) MAOAMAOBHSD17B10CYP2A6MEN1
SCHEMBL30966021 0.76 MAOA (0.65) MAOAMAOBCYP2A6GRM5
SCHEMBL7590260 0.76 MAOA (0.65) MAOAMAOBCYP2A6GRM5
SCHEMBL10631228 0.76 MAOA (0.55) MAOAMAOBKDM4EALDH1A1GAA
SCHEMBL10680401 0.75 SLC6A4 (0.56) MAOAMAOBKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414456-B1 PHENYL DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2011-12-28 EP disclosed
US-7902223-B2 For therapy and prophylaxis of thromboses, myocardial infarction, arteriosclerosis, inflammation, apoplexia, angina pectoris, restenosis after angioplasty, claudicatio intermittens, migraine, tumours, tumour diseases and/or tumour metastases MERCK PATENT GMBH (DE) 2011-03-08 US disclosed
US-7902223-B2 For therapy and prophylaxis of thromboses, myocardial infarction, arteriosclerosis, inflammation, apoplexia, angina pectoris, restenosis after angioplasty, claudicatio intermittens, migraine, tumours, tumour diseases and/or tumour metastases MERCK PATENT GMBH (DE) 2011-03-08 US disclosed
WO-2003084533-A1 N-`4-(2-IMINO-PYRROLIDIN-1-YL)PHENYL!-ACETAMIDE AND CORRESPONDING PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS FOR THE TREATMENT OF THROMBO-EMBOLIC DISEASES MERCK PATENT GMBH (DE) 2003-10-16 WO disclosed
WO-2003013531-A1 PHENYL DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2003-02-20 WO disclosed