SCHEMBL8318028

SCHEMBL8318028

CC[CH]NCCCCCCC

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.61
ADH1B P00325 2/20 0.61
ADH1C P00326 2/20 0.61
ADH1A P07327 2/20 0.61
ADH7 P40394 2/20 0.61
ADH4 P08319 1/20 0.61
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
ZDHHC20 Q5W0Z9 1/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.43
PPARA Q07869 2/20 0.43
THRB P10828 1/20 0.42
GBA1 P04062 1/20 0.41
CASP2 P42575 1/20 0.41

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
SCHEMBL8694717 1.00 EPHX1 (0.61) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL8939176 1.00 EPHX1 (0.61) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL102619 1.00 EPHX1 (0.61) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL8939134 1.00 EPHX1 (0.61) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL7899856 1.00 EPHX1 (0.61) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL6945997 1.00 EPHX1 (0.61) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL8939098 1.00 EPHX1 (0.61) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL8694784 0.97
SCHEMBL1329932 0.89
SCHEMBL6577387 0.89 PPARA (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5935952-A ANTIBACTERIAL AGENT TOYAMA CHEMICAL CO., LTD. (JP) 1999-08-10 US disclosed
EP-0775702-A1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 1997-05-28 EP disclosed