SCHEMBL6560640

SCHEMBL6560640

CCCc1ccc(CCNC(=O)OC(C)(C)C)cc1OCCCSc1ccc(OC(C)=O)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.42
PPARD Q03181 8/20 0.42
PPARA Q07869 8/20 0.42
IDO1 P14902 2/20 0.39
CNR2 P34972 1/20 0.39
LMNA P02545 4/20 0.39
HTT P42858 2/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
SLC5A1 P13866 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
SCHEMBL6560686 0.94 PPARG (0.41) PPARGPPARDPPARAIDO1CNR2
SCHEMBL6560087 0.85 PPARG (0.43) PPARGPPARDPPARAIDO1LMNA
SCHEMBL8444011 0.84 PPARG (0.42) PPARGPPARDPPARACNR2LMNA
SCHEMBL6560130 0.79 PPARG (0.42) PPARGPPARDPPARAIDO1LMNA
SCHEMBL3028465 0.72 CA1 (0.46) CNR2LMNAALDH1A1TRPV1CA12
SCHEMBL11687632 0.70 NPC1 (0.56) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL16930373 0.70 CNR2 (0.48) CNR2MEN1KMT2ACA1CA2
SCHEMBL6936596 0.69 PPARG (0.59) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6561653 0.69 CA2 (0.48) IDO1LMNAMEN1KMT2AKDM4E
SCHEMBL8669133 0.67 PPARG (0.53) PPARGPPARDPPARALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0904079-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2004-03-24 EP disclosed