SCHEMBL6894722

SCHEMBL6894722

COC(=O)c1cccc2c1c1c(O)cc(C(C)C)cc1n2Cc1cccc(-c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.41
PLA2G1B P04054 1/20 0.41
KLKB1 P03952 1/20 0.39
KLK1 P06870 1/20 0.39
THRB P10828 3/20 0.37
MAPT P10636 2/20 0.37
EGFR P00533 1/20 0.37
NR4A2 P43354 1/20 0.37
AR P10275 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
YWHAH Q04917 2/20 0.37
PTGS2 P35354 1/20 0.36
PPARG P37231 1/20 0.36
THRA P10827 2/20 0.36
MAPK8 P45983 1/20 0.35
FAAH O00519 1/20 0.35

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 0.93 MAPT (0.43) PLA2G2ATHRBMAPTARALDH1A1
SCHEMBL6890656 0.91 THRB (0.37) THRBMAPTALDH1A1GAAPKM
SCHEMBL6896588 0.90 PLA2G2A (0.44) PLA2G2APLA2G1BKLKB1KLK1THRB
SCHEMBL6892310 0.89 FAAH (0.41) THRBMAPTALDH1A1YWHAHFAAH
SCHEMBL6895041 0.89 MAPT (0.45) THRBMAPTALDH1A1GAATHRA
SCHEMBL6780031 0.89 PLA2G2A (0.44) PLA2G2APLA2G1BKLKB1KLK1PTGS2
SCHEMBL6897627 0.88 PLA2G2A (0.46) PLA2G2APLA2G1BKLKB1KLK1THRB
SCHEMBL6895034 0.88 L3MBTL1 (0.43) MAPTALDH1A1GAA
SCHEMBL6897629 0.88 POLB (0.36) THRBMAPTMAPK8
SCHEMBL6895778 0.88 PLA2G2A (0.45) PLA2G2APLA2G1BMAPTALDH1A1

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