SCHEMBL14628640

SCHEMBL14628640

NC(=O)CC1CCc2[nH]c3cccc(OCC(=O)O)c3c21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 7/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PLA2G10 O15496 1/20 0.35
PLA2G1B P04054 1/20 0.35
PLA2G5 P39877 1/20 0.35
PLA2G2E Q9NZK7 1/20 0.35
PTGIR P43119 5/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CASP1 P29466 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL14628608 0.89 PTGIR (0.38) PLA2G2APTGDR2DDB1CRBNPOLB
SCHEMBL14628639 0.89 DDB1 (0.39) PLA2G2APTGDR2DDB1CRBNPLA2G1B
SCHEMBL14628606 0.84 PLA2G2A (0.38) PLA2G2APTGDR2DDB1CRBNPOLB
SCHEMBL14628642 0.80 GAA (0.40) POLBKDM4EALDH1A1TDP1CASP1
SCHEMBL14628607 0.79 DDB1 (0.38) PLA2G2ADDB1CRBNPLA2G1BKDM4E
SCHEMBL14628605 0.75 MAPKAPK2 (0.43) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL14598618 0.72 PLA2G2A (0.58) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2E
SCHEMBL14628611 0.69 HTR2C (0.42) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30007166 0.69 PLA2G2A (0.46) PLA2G2APTGDR2POLBSMN1; SMN2PLA2G10
SCHEMBL14628656 0.68 MAPKAPK2 (0.45) KDM4EALDH1A1HPGDHSD17B10

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-7160909-B2 Cyclopenta[b]indole derivatives as sPLA2 inhibitors ELI LILLY AND COMPANY (US) 2007-01-09 US disclosed