SCHEMBL10709656

SCHEMBL10709656

CCCCC[CH]NCCCCCCCCCCCCCCCC

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.58
ADH1B P00325 2/20 0.58
ADH1C P00326 2/20 0.58
ADH1A P07327 2/20 0.58
ADH7 P40394 2/20 0.58
ADH4 P08319 1/20 0.58
TSHR P16473 4/20 0.50
FAAH O00519 2/20 0.44
TRPV1 Q8NER1 1/20 0.44
ALDH1A1 P00352 1/20 0.43
PPARA Q07869 2/20 0.42
THRB P10828 1/20 0.40

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
SCHEMBL16892555 1.00 EPHX1 (0.58) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL1405746 1.00 EPHX1 (0.58) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL10528798 1.00 EPHX1 (0.58) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL3032533 0.97 ADH1B (0.54) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL1951524 0.95 EPHX1 (0.52) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL5958389 0.95 EPHX1 (0.52) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL8695175 0.95 EPHX1 (0.58) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL16892559 0.95 EPHX1 (0.52) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL27746686 0.93 FAAH (0.56) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL1268406 0.92 EPHX1 (0.54) EPHX1ADH1BADH1CADH1AADH7

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-0133375-B1 COMPRESSION IGNITION FUELS, COMPOSITIONS AND ADDITIVE PACKAGES FOR THE PRODUCTION THEREOF AND THE USE THEREOF ETHYL CORPORATION (US) 1988-05-25 EP disclosed