SCHEMBL6663382

SCHEMBL6663382

COC(=O)COc1cccc2c1c1c(n2Cc2ccc(C)c(C)c2)CCCCC1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 15/20 0.47
TSPO P30536 2/20 0.40
PLA2G1B P04054 3/20 0.39
PLA2G10 O15496 1/20 0.38
PLA2G5 P39877 1/20 0.38
PLA2G2E Q9NZK7 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
SCHEMBL5864591 0.92 PLA2G2A (0.47) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL5864516 0.90 PLA2G2A (0.57) PLA2G2ATSPOPLA2G1BPLA2G10PLA2G5
SCHEMBL6657078 0.89 PLA2G2A (0.45) PLA2G2ATSPOPLA2G1B
SCHEMBL6657217 0.89 PLA2G2A (0.42) PLA2G2ATSPOPLA2G1BPLA2G10PLA2G5
SCHEMBL6659796 0.87 PLA2G2A (0.42) PLA2G2ATSPOPLA2G1BPLA2G10PLA2G5
SCHEMBL6657450 0.87 PLA2G2A (0.43) PLA2G2ATSPOPLA2G1BPLA2G10PLA2G5
SCHEMBL5510878 0.86 PLA2G2A (0.49) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL6657470 0.85 PLA2G2A (0.45) PLA2G2ATSPOPLA2G1B
SCHEMBL6661790 0.84 TSPO (0.42) PLA2G2ATSPO
SCHEMBL5507320 0.83 PLA2G2A (0.59) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1438290-A1 CYCLOHEPT B!INDOLE DERIVATIVES AS SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2004-07-21 EP claimed
WO-2003016277-A1 CYCLOHEPT`B!INDOLE DERIVATIVES AS SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2003-02-27 WO claimed