SCHEMBL8927063

SCHEMBL8927063

Cc1ccc(C(=O)O)c(C(Br)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.43
METAP2 P50579 1/20 0.42
POLB P06746 1/20 0.41
AKR1C3 P42330 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KMT2A Q03164 3/20 0.39
GAA P10253 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
MCL1 Q07820 1/20 0.39
LMNA P02545 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
TTR P02766 1/20 0.39
BRD4 O60885 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
SCHEMBL8108518 0.82 CSNK2A1 (0.44) CSNK2A1METAP2POLBAKR1C3ALDH1A1
SCHEMBL28007033 0.80 CSNK2A1 (0.48) CSNK2A1POLBALDH1A1KMT2AMEN1
SCHEMBL4286053 0.79 ALDH1A1 (0.53) POLBAKR1C3ALDH1A1HPGDKMT2A
SCHEMBL8938037 0.78 HTT (0.41) ALDH1A1HPGDKMT2AGAAHTT
SCHEMBL27992220 0.77 TTR (0.47) CSNK2A1METAP2POLBAKR1C3ALDH1A1
SCHEMBL24029058 0.75 CSNK2A1 (0.52) CSNK2A1POLBAKR1C3ALDH1A1KMT2A
SCHEMBL6644184 0.75 CSNK2A1 (0.52) CSNK2A1ALDH1A1KMT2AMEN1LMNA
SCHEMBL27822471 0.74 CSNK2A1 (0.50) CSNK2A1POLBAKR1C3ALDH1A1KMT2A
SCHEMBL24019777 0.74 CSNK2A1 (0.50) CSNK2A1POLBAKR1C3ALDH1A1KMT2A
SCHEMBL29223121 0.74 PTGS2 (0.46) ALDH1A1HSD17B10KDM4EMCL1HDAC7

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-5658939-A PREVENTION THROMBOSIS IN MAMMALS CORVAS INTERNATIONAL INC. (US) 1997-08-19 US disclosed