SCHEMBL6152045

SCHEMBL6152045

Cc1cc(SCc2cn(-c3ccc(C(F)(F)F)cc3)nc2CCc2ccccc2F)ccc1[O]

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.36
CTSS P25774 3/20 0.35
PPARD Q03181 9/20 0.34
TP53 P04637 2/20 0.34
MPO P05164 1/20 0.33
PPARA Q07869 7/20 0.33
KMT2A Q03164 2/20 0.33
PKM P14618 1/20 0.33
PPARG P37231 3/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL6152050 0.89 PPARD (0.34) TOP2ACTSSPPARDTP53MPO
SCHEMBL5904881 0.87 FFAR4 (0.40) PPARDPPARAPPARG
SCHEMBL5904913 0.85 PPARD (0.53) PPARDPPARAPPARG
SCHEMBL6151357 0.84 CTSS (0.33) TOP2ACTSSPPARDPPARA
SCHEMBL5904742 0.76 NOTUM (0.43) CTSSKMT2AKDM4EMEN1ALDH1A1
SCHEMBL6151361 0.74 CTSS (0.32) CTSSPPARDPPARAKDM4E
SCHEMBL5904750 0.72 PPARD (0.49) PPARD
SCHEMBL5904676 0.72 PPARD (0.39) PPARDPPARAPPARG
SCHEMBL5904772 0.72 FFAR1 (0.53) PPARDPPARAPPARG
SCHEMBL6152047 0.71 PPARD (0.36) TOP2APPARD

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