SCHEMBL6934020

SCHEMBL6934020

CCCc1cc(C(=O)c2ccccc2)ccc1OCCCCSc1ccc(Cn2cnnn2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.44
PPARG P37231 16/20 0.44
PPARD Q03181 13/20 0.44
LTB4R Q15722 1/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6934429 0.85 PPARA (0.58) PPARAPPARGPPARDLTB4RNR1H2
SCHEMBL7074267 0.82 PPARA (0.61) PPARAPPARGPPARDLTB4RNR1H2
SCHEMBL6934021 0.81 PPARG (0.42) PPARAPPARGPPARDLTB4RNR1H2
SCHEMBL6934237 0.78 PPARG (0.42) PPARAPPARGPPARD
SCHEMBL6559278 0.76 PPARG (0.43) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL6559359 0.76 PPARG (0.51) PPARAPPARGPPARDNR1H2NR1H3
SCHEMBL6939543 0.73 PPARG (0.58) PPARAPPARGPPARDLTB4RNR1H2
SCHEMBL7074261 0.72 PPARG (0.57) PPARAPPARGPPARDLTB4RNR1H2
SCHEMBL6931405 0.72 PPARD (0.69) PPARAPPARGPPARDLTB4RNR1H2
SCHEMBL6938259 0.71 LTB4R (0.52) PPARAPPARGPPARDLTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP claimed
EP-0888278-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 1999-06-30 EP claimed
EP-0888278-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-01-07 EP claimed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO claimed
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP disclosed
EP-0888278-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 1999-06-30 EP disclosed
EP-0888278-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-01-07 EP disclosed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed