SCHEMBL6197334

SCHEMBL6197334

CC(Oc1ccc(SCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c(O)c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 13/20 0.50
PPARA Q07869 12/20 0.50
PPARG P37231 8/20 0.45
ADAMTS4 O75173 1/20 0.43
MMP13 P45452 1/20 0.43
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
CYP2C19 P33261 1/20 0.43
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41

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
SCHEMBL30977146 0.81 PPARD (0.64) PPARDPPARAPPARGADAMTS4MMP13
SCHEMBL4604581 0.76 PPARD (0.69) PPARDPPARAPPARGADAMTS4MMP13
SCHEMBL25212758 0.74 CYP1A2 (0.59) PPARDPPARAPPARGCYP1A2GAA
SCHEMBL11597291 0.74 CYP1A2 (0.59) PPARDPPARAPPARGCYP1A2GAA
SCHEMBL21057241 0.74 CYP1A2 (0.59) PPARDPPARAPPARGCYP1A2GAA
SCHEMBL21991483 0.74 MAOB (0.63) PPARAPPARGADAMTS4MMP13
SCHEMBL30080032 0.74 DAO (0.46) PPARDPPARAPPARGGAA
SCHEMBL5994374 0.74 PPARD (0.53) PPARDPPARAPPARGPSEN1
SCHEMBL5510001 0.72 PPARD (0.66) PPARDPPARAPPARGPTPN2PTPN1
SCHEMBL5513262 0.72 PPARD (0.66) PPARDPPARAPPARGPTPN2PTPN1

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-1494989-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2005-01-12 EP disclosed
WO-2003084916-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2003-10-16 WO disclosed