SCHEMBL11233910

SCHEMBL11233910

CCC(CC)OC(=O)C1CCCCC1C(=O)OC(CC)CC

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
EPHX1 P07099 3/20 0.33
CTSK P43235 3/20 0.33
EPHX2 P34913 1/20 0.33
SHBG P04278 1/20 0.32
SLC18A3 Q16572 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL18768684 0.93 PEPD (0.38) TP53CYP3A4
SCHEMBL11229159 0.89 PRKCA (0.40) TP53CYP3A4CTSKEPHX2
SCHEMBL14422630 0.86 EPHX2 (0.46) TP53CYP3A4CTSKEPHX2
SCHEMBL14422637 0.84 EPHX2 (0.43) CTSKEPHX2ALDH1A1
SCHEMBL10287547 0.83 PEPD (0.34) TP53CYP3A4
SCHEMBL18929745 0.83 PEPD (0.34) ALDH1A1
SCHEMBL29687262 0.83 TSHR (0.41) EPHX1EPHX2
SCHEMBL5513339 0.82 TP53 (0.39) TP53CYP3A4EPHX1CTSKEPHX2
SCHEMBL1895856 0.80 TP53 (0.38) TP53CYP3A4EPHX1CTSK
SCHEMBL5520027 0.78 EPHX2 (0.39) EPHX2

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
US-4314946-A Process for the continuous separation of maleic anhydride from process gases FTALITAL PRODOTTI CHIMICI SPECIALI S.P.A. (IT) 1982-02-09 US disclosed