SCHEMBL8530291

SCHEMBL8530291

N#Cc1cccc(C[C@@H](NCc2ccc(O)cc2)C(N)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.45
ERCC4 Q92889 1/20 0.45
FOLH1 Q04609 1/20 0.43
EPHX1 P07099 1/20 0.42
GPR34 Q9UPC5 1/20 0.42
DPP7 Q9UHL4 3/20 0.41
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
VNN1 O95497 1/20 0.40
NLRP3 Q96P20 1/20 0.40
KLKB1 P03952 1/20 0.40
KLK1 P06870 1/20 0.40
MAPK8 P45983 1/20 0.40
MEP1A Q16819 1/20 0.40
MEP1B Q16820 1/20 0.40
MC5R P33032 2/20 0.40
MC1R Q01726 2/20 0.40
DPP4 P27487 2/20 0.40
FAP Q12884 1/20 0.40
DPP8 Q6V1X1 1/20 0.40

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
SCHEMBL9273671 0.89 GPR34 (0.50) ERCC1ERCC4FOLH1GPR34FFAR1
Trifluoroacetic Acid SCHEMBL8138243 0.83 F2 (0.42) ERCC1ERCC4FOLH1GPR34FFAR1
SCHEMBL20362252 0.81 ACE (0.51) MEP1B
SCHEMBL18375339 0.81 ACE (0.51) MEP1B
SCHEMBL7354256 0.80 EPHX1 (0.46) ERCC1ERCC4FOLH1EPHX1DPP7
SCHEMBL7354251 0.80 EPHX1 (0.46) ERCC1ERCC4FOLH1EPHX1DPP7
SCHEMBL8112583 0.79 ERCC1 (0.50) ERCC1ERCC4FOLH1DPP7KLKB1
SCHEMBL6163777 0.78 CNR1 (0.47) FOLH1EPHX1DPP7NLRP3MAPK8
SCHEMBL8121226 0.76 ERCC1 (0.43) ERCC1ERCC4FOLH1GPR34
SCHEMBL8803839 0.75 MAOB (0.52) ERCC1ERCC4EPHX1DPP7VNN1

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-5807875-A OBESITY THERAPY DR. KARL THOMAE GMBH (DE) 1998-09-15 US disclosed
US-5616620-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-04-01 US disclosed