SCHEMBL6129679

SCHEMBL6129679

Cc1ccc(OC(=O)CO)c2c3c(n(Cc4ccccc4)c12)CCCC3C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 8/20 0.38
FABP3 P05413 1/20 0.38
PLA2G2A P14555 6/20 0.36
OPRK1 P41145 2/20 0.35
OPRM1 P35372 1/20 0.35
KCNH2 Q12809 1/20 0.35
HTR6 P50406 2/20 0.35
PLA2G10 O15496 1/20 0.34
PLA2G1B P04054 1/20 0.34
PLA2G5 P39877 1/20 0.34
PLA2G2E Q9NZK7 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
SCHEMBL27844976 0.91 FABP4 (0.39) FABP4FABP3PLA2G2AOPRK1OPRM1
SCHEMBL6129618 0.90 FABP4 (0.37) FABP4FABP3PLA2G2AHTR6
SCHEMBL6129588 0.89 FABP4 (0.36) FABP4FABP3PLA2G2AOPRK1OPRM1
SCHEMBL6697582 0.89 PLA2G2A (0.44) FABP4FABP3PLA2G2AHTR6
SCHEMBL29862757 0.87 PLA2G2A (0.47) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2E
SCHEMBL818322 0.87 PLA2G2A (0.47) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2E
SCHEMBL6693186 0.86 PLA2G2A (0.49) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2E
SCHEMBL6129646 0.85 TSPO (0.42) PLA2G2AHTR6PLA2G10PLA2G1BPLA2G5
SCHEMBL8375901 0.84 FABP4 (0.43) FABP4FABP3PLA2G2AHTR6
SCHEMBL27845011 0.82 FABP4 (0.37) FABP4FABP3PLA2G2AHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004503586-A 2004-02-05 JP claimed
EP-1303262-A2 USE OF A SPLA2 INHIBITOR FOR THE TREATMENT OF SEPSIS ELI LILLY AND COMPANY (US) 2003-04-23 EP claimed
WO-2002005796-A2 USE OF A SPLA2 INHIBITOR FOR THE TREATMENT OF SEPSIS ELI LILLY AND COMPANY (US) 2002-01-24 WO claimed
EP-1043991-A4 TREATMENT FOR ALZHEIMER'S DISEASE LILLY CO ELI (US) 2005-02-02 EP disclosed
EP-1043991-A1 TREATMENT FOR ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 2000-10-18 EP disclosed
WO-1999025340-A1 TREATMENT FOR ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1999-05-27 WO disclosed