SCHEMBL4611703

SCHEMBL4611703

CCCCCC1CC(O)C(=O)O1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.50
CYP1A2 P05177 2/20 0.49
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL9743421 0.98 PPARG (0.52) PPARGCYP1A2ALDH1A1HPGDHTT
SCHEMBL10544804 0.98 PPARG (0.52) PPARGCYP1A2ALDH1A1HPGDHTT
SCHEMBL5351104 0.98 PPARG (0.52) PPARGCYP1A2ALDH1A1HPGDHTT
SCHEMBL5351457 0.95 PPARG (0.44) PPARGCYP1A2ALDH1A1HPGDHTT
SCHEMBL1427300 0.89 PPARG (0.46) PPARGCYP1A2ALDH1A1HPGDHTT
SCHEMBL1427301 0.89 PPARG (0.46) PPARGCYP1A2ALDH1A1HPGDHTT
SCHEMBL5348823 0.87 KMT2A (0.42) PPARGCYP1A2ALDH1A1HPGDHTT
SCHEMBL9457080 0.83 PPARG (0.58) PPARGCYP1A2ALDH1A1HPGDHTT
SCHEMBL9665057 0.83 PPARG (0.58) PPARGCYP1A2ALDH1A1HPGDHTT
SCHEMBL9457073 0.83 PPARG (0.58) PPARGCYP1A2ALDH1A1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1055654-B1 PROCESS FOR THE PREPARATION OF ORGANIC COMPOUNDS WITH IMIDE CATALYSTS DAICEL CHEM (JP) 2008-02-20 EP disclosed
US-7183423-B1 Process for the preparation of organic compounds with imide catalysts DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-02-27 US disclosed
EP-1055654-A1 PROCESS FOR THE PREPARATION OF ORGANIC COMPOUNDS WITH IMIDE CATALYSTS Daicel Chemical Industries, Ltd. (JP) 2000-11-29 EP disclosed