SCHEMBL6977940

SCHEMBL6977940

Cc1cccc(C(=O)O)c1COc1ccc2c(c1)c1c(n2Cc2ccccc2)CCCC1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 9/20 0.50
HTR6 P50406 2/20 0.49
FABP4 P15090 7/20 0.43
FABP3 P05413 1/20 0.42

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
SCHEMBL29862413 0.88 PLA2G2A (0.58) PLA2G2AHTR6FABP4FABP3
SCHEMBL817701 0.88 PLA2G2A (0.58) PLA2G2AHTR6FABP4FABP3
Water SCHEMBL6981285 0.87 PLA2G2A (0.57) PLA2G2AHTR6FABP4FABP3
SCHEMBL818191 0.83 PLA2G2A (0.53) PLA2G2AHTR6
SCHEMBL29862380 0.83 PLA2G2A (0.53) PLA2G2AHTR6
SCHEMBL6699402 0.82 HTR6 (0.71) PLA2G2AHTR6
SCHEMBL29862561 0.80 PLA2G2A (0.59) PLA2G2AHTR6
SCHEMBL818539 0.80 PLA2G2A (0.59) PLA2G2AHTR6
SCHEMBL11838754 0.80 HTR6 (0.56) PLA2G2AHTR6FABP4
SCHEMBL6694891 0.79 HTR6 (0.50) PLA2G2AHTR6

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-0839806-B1 Substituted tricyclics LILLY CO ELI (US) 2003-07-09 EP claimed