SCHEMBL6895778

SCHEMBL6895778

COC(=O)c1cccc2c1c1c(O)cc(C(C)C)cc1n2Cc1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 9/20 0.45
MAPT P10636 3/20 0.45
POLB P06746 1/20 0.44
CCR2 P41597 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGDR Q13258 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK10 P53779 1/20 0.39
PLA2G1B P04054 1/20 0.38
F10 P00742 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
SCHEMBL6694748 0.92 MAPT (0.43) PLA2G2AMAPTALDH1A1
SCHEMBL6895041 0.89 MAPT (0.45) MAPTPOLBALDH1A1CYP3A4CYP2D6
SCHEMBL6897629 0.89 POLB (0.36) MAPTPOLBF10
SCHEMBL6895034 0.89 L3MBTL1 (0.43) MAPTPOLBALDH1A1CYP2D6CYP2C9
SCHEMBL6771712 0.88 PLA2G2A (0.51) PLA2G2AMAPTCCR2PTGER4PTGDR
SCHEMBL6694412 0.88 PLA2G2A (0.56) PLA2G2AMAPTPOLBCCR2ALDH1A1
SCHEMBL6894722 0.88 PLA2G2A (0.41) PLA2G2AMAPTALDH1A1PLA2G1B
SCHEMBL6890656 0.88 THRB (0.37) MAPTALDH1A1F10
SCHEMBL6893888 0.87 PLA2G2A (0.47) PLA2G2AMAPTPOLBCCR2ALDH1A1
SCHEMBL6889588 0.87 PLA2G2A (0.49) PLA2G2AMAPTPOLBCCR2ALDH1A1

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