SCHEMBL3702168

SCHEMBL3702168

Cc1ccn(Cc2ccc(CC(=O)O)cc2)c(=O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.44
CTSB P07858 1/20 0.44
TP53 P04637 4/20 0.44
MAPT P10636 3/20 0.44
SLC22A12 Q96S37 1/20 0.42
PTGS2 P35354 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
FFAR1 O14842 1/20 0.42
GLA P06280 1/20 0.42
POLB P06746 4/20 0.41
NSD2 O96028 1/20 0.41
GRK2 P25098 1/20 0.41
CASP6 P55212 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
MAPK14 Q16539 1/20 0.41
NOTUM Q6P988 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL21201593 0.84 MAPT (0.61) TP53MAPTMEN1KMT2APOLB
SCHEMBL1346298 0.82 MAPK14 (0.58) TP53MAPTMEN1KMT2APOLB
SCHEMBL27383592 0.82 KMT2A (0.44) KLKB1TP53MAPTKMT2APOLB
SCHEMBL21419979 0.81 MAPT (0.49) TP53MAPTMEN1KMT2APOLB
SCHEMBL29348734 0.80 ACHE (0.48) TP53MAPTKMT2APOLBMAPK14
SCHEMBL2552042 0.79 MAPT (0.44) KLKB1TP53MAPTMEN1KMT2A
SCHEMBL4591705 0.77 KDM4E (0.56) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL25852695 0.77 MAPT (0.43) TP53MAPTMEN1KMT2APOLB
SCHEMBL21201592 0.77 MAPT (0.45) TP53MAPTPOLBKEAP1NFE2L2
SCHEMBL4280056 0.76 MAPT (0.43) TP53MAPTMEN1KMT2APOLB

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
EP-2268625-B1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Pharma AG (DE) 2012-05-16 EP disclosed