SCHEMBL8035619

SCHEMBL8035619

CCOC(=O)C(CC(=O)c1ccc(F)cc1)(Cc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 3/20 0.45
RECQL P46063 1/20 0.45
MMP8 P22894 1/20 0.45
KMT2A Q03164 5/20 0.43
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
LMNA P02545 2/20 0.41
CASP3 P42574 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 1/20 0.41
KDM4E B2RXH2 2/20 0.40
CACNA1G O43497 1/20 0.39
PTPN1 P18031 2/20 0.39
PTPRC P08575 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.38
NPC1 O15118 1/20 0.38
PIN1 Q13526 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
SCHEMBL8035614 0.95 POLB (0.55) POLBNPSR1ALDH1A1RECQLMMP8
SCHEMBL9554708 0.88 POLB (0.50) POLBNPSR1ALDH1A1RECQLMMP8
SCHEMBL9554713 0.88 POLB (0.50) POLBNPSR1ALDH1A1RECQLMMP8
SCHEMBL8035637 0.86 L3MBTL1 (0.47) NPSR1ALDH1A1KMT2AMAPK1L3MBTL1
SCHEMBL4232007 0.82 NPSR1 (0.52) POLBNPSR1ALDH1A1RECQLMMP8
SCHEMBL8037764 0.81 ALDH1A1 (0.60) POLBNPSR1ALDH1A1RECQLMMP8
SCHEMBL7435532 0.81 ALDH1A1 (0.59) POLBNPSR1ALDH1A1RECQLMMP8
SCHEMBL17460412 0.79 ALDH1A1 (0.56) POLBNPSR1ALDH1A1RECQLMMP8
SCHEMBL11285420 0.78 MAPT (0.46) POLBNPSR1ALDH1A1RECQLMMP8
SCHEMBL4419400 0.78 ALDH1A1 (0.62) POLBNPSR1ALDH1A1RECQLMMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6143787-A HETEROCYCLIC OR AROMATIC OXOACIDS MERCK PATENT GESELLSCHAFT MIT (DE) 2000-11-07 US disclosed