SCHEMBL4743512

SCHEMBL4743512

CC(C)(C)OC(=O)Nc1ccc(Oc2ccc([AsH2])cc2C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 4/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PSMB8 P28062 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
CRHBP P24387 2/20 0.39
CRHR2 Q13324 2/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
CYP17A1 P05093 2/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 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
SCHEMBL4740981 0.82 MEN1 (0.54) SMN1; SMN2POLBMEN1KMT2AMAPT
SCHEMBL4683961 0.81 MAPK1 (0.41) SMN1; SMN2POLBKDM4EMEN1KMT2A
SCHEMBL29130752 0.81 AKR1C3 (0.43) HPGDSMN1; SMN2POLBKDM4EMEN1
SCHEMBL5183424 0.80 EPHX1 (0.47) KMT2AALDH1A1
SCHEMBL5170350 0.80 MEN1 (0.48) MEN1KMT2AMAPTGAANPC1
SCHEMBL4232458 0.79 CYP17A1 (0.41) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL5183410 0.79 PKM (0.50) HPGDPOLBKDM4EMEN1KMT2A
SCHEMBL29131710 0.77 HPGD (0.59) HPGDSMN1; SMN2POLBMAPTPSMB8
SCHEMBL30682542 0.76 HPGD (0.55) HPGDSMN1; SMN2MEN1KMT2APSMB8
SCHEMBL4238948 0.76 PPARG (0.40) MAPTATMCYP17A1PPARGPPARA

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-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed