SCHEMBL6938382

SCHEMBL6938382

CCCc1cc(C(=O)c2ccccc2)ccc1OCCCCOc1cccc(OC(C)=O)c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.64
PPARA Q07869 10/20 0.64
PPARD Q03181 5/20 0.64
LTB4R Q15722 1/20 0.58
LMNA P02545 1/20 0.54
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
FOS P01100 1/20 0.50
JUN P05412 1/20 0.50
ELANE P08246 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL6935714 0.86 PPARG (0.61) PPARGPPARAPPARDLTB4RLMNA
SCHEMBL6936861 0.81 PPARA (0.59) PPARGPPARAPPARDLTB4RLMNA
SCHEMBL6934325 0.80 PPARG (0.59) PPARGPPARAPPARDLTB4RFOS
SCHEMBL6938370 0.80 PPARG (0.58) PPARGPPARAPPARDLTB4RFOS
SCHEMBL18480010 0.79 POLB (0.55) PPARGPPARAPPARDLTB4RLMNA
SCHEMBL13236857 0.77 KMT2A (0.68) LMNAMAPK1L3MBTL1KMT2A
SCHEMBL1196100 0.77 PLA2G4B (0.58) LMNAKMT2A
SCHEMBL24648565 0.76 PPARG (0.56) PPARGPPARAPPARDLTB4RELANE
SCHEMBL30020306 0.76 PPARG (0.56) PPARGPPARAPPARDLTB4RELANE
SCHEMBL18917586 0.76 LMNA (0.69) PPARALMNAMAPK1L3MBTL1KMT2A

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