SCHEMBL9273671

SCHEMBL9273671

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

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR34 Q9UPC5 1/20 0.50
FOLH1 Q04609 1/20 0.49
ERCC1 P07992 1/20 0.46
ERCC4 Q92889 1/20 0.46
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
PDCD1 Q15116 12/20 0.43
CD274 Q9NZQ7 12/20 0.43
PIN1 Q13526 1/20 0.42
MAOB P27338 1/20 0.42
MME P08473 1/20 0.42

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
SCHEMBL8530291 0.89 ERCC1 (0.45) GPR34FOLH1ERCC1ERCC4FFAR1
SCHEMBL6065430 0.81 MME (0.58) FOLH1MME
SCHEMBL6716497 0.81 MME (0.58) FOLH1MME
SCHEMBL11346818 0.81 MME (0.58) FOLH1MME
SCHEMBL121370 0.81 MME (0.58) FOLH1MME
SCHEMBL121371 0.81 MME (0.58) FOLH1MME
SCHEMBL8414223 0.80 FOLH1 (0.55) FOLH1MME
SCHEMBL148423 0.80 FOLH1 (0.55) FOLH1MME
SCHEMBL8121226 0.80 ERCC1 (0.43) GPR34FOLH1ERCC1ERCC4
SCHEMBL34461699 0.79 FOLH1 (0.55) GPR34FOLH1ERCC1ERCC4FFAR1

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-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 EP disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 WO disclosed