SCHEMBL17907985

SCHEMBL17907985

COc1ccc2c(c1)cc(C=CC(=O)O)n2CC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
THRB P10828 1/20 0.40
ATM Q13315 1/20 0.40
CCR2 P41597 1/20 0.40
CACNA1B Q00975 1/20 0.39
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
MAPT P10636 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
SCHEMBL17907984 1.00 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL17907933 0.89 KCNQ3 (0.38) KDM4EALDH1A1THRBCACNA1B
SCHEMBL17907934 0.89 KCNQ3 (0.38) KDM4EALDH1A1THRBCACNA1B
SCHEMBL17907996 0.88 CACNA1B (0.40) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL17907928 0.88 CACNA1B (0.44) KDM4EALDH1A1HSD17B10CACNA1BL3MBTL1
SCHEMBL17907997 0.88 CACNA1B (0.40) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL17907927 0.88 CACNA1B (0.44) KDM4EALDH1A1HSD17B10CACNA1BL3MBTL1
SCHEMBL17907951 0.87 TDP1 (0.41) KDM4EALDH1A1HPGDSMN1; SMN2THRB
SCHEMBL17907953 0.87 TDP1 (0.41) KDM4EALDH1A1HPGDSMN1; SMN2THRB
SCHEMBL3553079 0.85 KDM4E (0.46) KDM4EALDH1A1CCR2CACNA1BL3MBTL1

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-2697223-B1 7-(HETEROARYL-AMINO)-6,7,8,9-TETRAHYDROPYRIDO[1,2-A]INDOL ACETIC ACID DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2016-07-13 EP disclosed