SCHEMBL3411403

SCHEMBL3411403

Cc1ccc2cc(OC(=O)O)[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.50
DDO Q99489 1/20 0.50
FLT3 P36888 2/20 0.46
PIN1 Q13526 2/20 0.44
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
HSD17B10 Q99714 7/20 0.42
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 6/20 0.42
TSHR P16473 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
ALOX12 P18054 1/20 0.40
HPGD P15428 1/20 0.40
MPL P40238 1/20 0.39
PDGFRB P09619 1/20 0.39

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
SCHEMBL3418659 0.87 PIN1 (0.58) DAOFLT3PIN1RXFP1CA12
SCHEMBL4707550 0.83 KDM4E (0.52) DAODDOFLT3MAPTRXFP1
SCHEMBL3420585 0.81 FLT3 (0.54) FLT3MAPTRXFP1HSD17B10KDM4E
SCHEMBL3418189 0.80 ALOX15 (0.52) DAOFLT3HSD17B10KDM4EMEN1
SCHEMBL3381701 0.80 HRH4 (0.43) MAPTKDM4E
SCHEMBL3414920 0.80 DAO (0.50) DAODDOFLT3PIN1HSD17B10
SCHEMBL1833251 0.77 KDM4E (0.55) DAODDOFLT3MAPTHSD17B10
SCHEMBL31017884 0.74 PIN1 (0.74) DAODDOFLT3PIN1MAPT
SCHEMBL1144688 0.74 PIN1 (0.74) DAODDOFLT3PIN1MAPT
SCHEMBL112135 0.74 GPR35 (0.55) DAODDOCA12CA9

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-2149551-A1 N-(indol-3-ylalkyl)-(hetero)arylamid derivatives as modulators of EP2 receptors Bayer Schering Pharma AG (DE) 2010-02-03 EP claimed