SCHEMBL6891901

SCHEMBL6891901

CCCCCc1cc(O)c2c3c(C(=O)OC)cccc3n(Cc3cccc(Cl)c3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 6/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.42
CNR2 P34972 3/20 0.42
CNR1 P21554 1/20 0.42
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.39
AGTR1 P30556 1/20 0.38
PLA2G1B P04054 1/20 0.38
PTGES O14684 1/20 0.37
CCR2 P41597 1/20 0.37

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
SCHEMBL5212605 0.93 MAPK8 (0.42) PLA2G2AMAPTTHRBAGTR1
SCHEMBL6893888 0.91 PLA2G2A (0.47) PLA2G2AMAPTPOLBTP53THRB
SCHEMBL6896800 0.90 MAPT (0.43) MAPTPOLBCNR2CNR1TP53
SCHEMBL6889327 0.89 MAPT (0.41) MAPTPOLBCNR2TP53
SCHEMBL6897945 0.89 POLB (0.36) POLB
SCHEMBL6774931 0.89 PLA2G2A (0.48) PLA2G2ACNR2CNR1TP53THRB
SCHEMBL6888047 0.88 CNR1 (0.38) MAPTCNR2CNR1AGTR1
SCHEMBL6889205 0.88 MAPK8 (0.41) PLA2G2AAGTR1PLA2G1B
SCHEMBL6897075 0.88 CETP (0.41)
SCHEMBL6895127 0.87 CNR1 (0.42) MAPTCNR2CNR1TP53PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6713645-B1 INHIBITING SPLA2 MEDIATED RELEASE OF FATTY ACIDS FOR TREATMENT OF CONDITIONS SUCH AS SEPTIC SHOCK ELI LILLY AND COMPANY 2004-03-30 US disclosed
US-6177440-B1 THERAPY FOR SEPSIS SHOCK; PHOSPHOLIPASE INHBITOR ELI LILLY AND COMPANY 2001-01-23 US disclosed
EP-0952149-A2 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitiors ELI LILLY AND COMPANY (US) 1999-10-27 EP disclosed