SCHEMBL6152050

SCHEMBL6152050

Cc1cc(SCc2cn(-c3ccc(C(F)(F)F)cc3)nc2CCc2ccccc2F)ccc1O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.34
CTSS P25774 2/20 0.33
PPARA Q07869 6/20 0.33
TOP2A P11388 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
MPO P05164 1/20 0.32
PPARG P37231 3/20 0.31

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
SCHEMBL6152045 0.89 TOP2A (0.36) PPARDCTSSPPARATOP2AKDM4E
SCHEMBL5904881 0.87 FFAR4 (0.40) PPARDPPARAPPARG
SCHEMBL5904913 0.85 PPARD (0.53) PPARDPPARAPPARG
SCHEMBL6151361 0.84 CTSS (0.32) PPARDCTSSPPARAKDM4E
SCHEMBL5904742 0.78 NOTUM (0.43) CTSSKDM4E
SCHEMBL6151357 0.74 CTSS (0.33) PPARDCTSSPPARATOP2A
SCHEMBL5904840 0.73 CASR (0.36) PPARDCTSSPPARA
SCHEMBL5904750 0.72 PPARD (0.49) PPARD
SCHEMBL5904676 0.72 PPARD (0.39) PPARDPPARAPPARG
SCHEMBL5904772 0.72 FFAR1 (0.53) PPARDPPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1585733-A1 HETEROCYCLIC PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
WO-2004063166-A1 HETEROCYCLIC PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed