SCHEMBL6692858

SCHEMBL6692858

COC(=O)c1cccc2c1c1c(O)cc(-c3ccc(C(F)(F)F)cc3)cc1n2Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.43
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
MGLL Q99685 1/20 0.42
KDM4E B2RXH2 2/20 0.40
CFTR P13569 1/20 0.40
MAPT P10636 2/20 0.40
CYP3A4 P08684 1/20 0.40
AR P10275 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
PAX8 Q06710 2/20 0.39
S1PR2 O95136 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
LDHA P00338 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
SCHEMBL6898645 0.92 PPARG (0.48) PPARGKDM4EMAPTALDH1A1
SCHEMBL6694644 0.90 AR (0.45) KDM4EMAPTARALDH1A1GAA
SCHEMBL6890365 0.89 PPARG (0.46) PPARGMAPT
SCHEMBL6690879 0.88 DRD2 (0.47) PPARGKDM4EMAPTARALDH1A1
SCHEMBL6690152 0.87 KDM4E (0.43) PTPN2PTPN1PTPN6MGLLKDM4E
SCHEMBL6896588 0.86 PLA2G2A (0.44) KDM4EMAPTARALDH1A1GAA
SCHEMBL6894303 0.85 DRD2 (0.44) PPARGMAPTARALDH1A1GAA
SCHEMBL6897173 0.85 MAPT (0.44) KDM4EMAPTGAA
SCHEMBL6893709 0.85 MAPT (0.47) MAPTCYP3A4ARALDH1A1GAA
SCHEMBL6898378 0.83 ACMSD (0.39) KDM4EMAPTARALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0952149-B1 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitiors LILLY CO ELI (US) 2004-06-09 EP disclosed
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