SCHEMBL10445291

SCHEMBL10445291

CCCCCCCCCCCCCCCCCC1CCC(CO)O1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.53
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 2/20 0.44
PPARG P37231 1/20 0.43
PTAFR P25105 1/20 0.40
GBA1 P04062 7/20 0.39

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
SCHEMBL10445195 1.00 EPHX1 (0.53) EPHX1ALDH1A1CYP1A2PPARGPTAFR
SCHEMBL27964840 0.92 EPHX1 (0.42) EPHX1ALDH1A1CYP1A2PPARGPTAFR
SCHEMBL11052003 0.89 EPHX1 (0.64) EPHX1ALDH1A1CYP1A2PPARGPTAFR
SCHEMBL7155865 0.87 EPHX1 (0.60) EPHX1ALDH1A1CYP1A2PPARGPTAFR
SCHEMBL4464256 0.87 EPHX1 (0.60) EPHX1ALDH1A1CYP1A2PPARGPTAFR
SCHEMBL7155873 0.87 EPHX1 (0.60) EPHX1ALDH1A1CYP1A2PPARGPTAFR
SCHEMBL9283476 0.86 EPHX1 (0.50) EPHX1ALDH1A1CYP1A2PPARGPTAFR
SCHEMBL6479195 0.85 EPHX1 (0.59) EPHX1ALDH1A1CYP1A2PPARGPTAFR
SCHEMBL15115420 0.83 CYP2A6 (0.33) EPHX1
SCHEMBL11741674 0.80 EPHX1 (0.50) EPHX1ALDH1A1CYP1A2PPARGPTAFR

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-0353777-A2 New 2,5-disubstituted tetrahydrofuran derivatives J. URIACH & CIA. S.A. (ES) 1990-02-07 EP disclosed