SCHEMBL11263408

SCHEMBL11263408

CCCCCCCCCNC(C)(C)CCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.44
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
THRB P10828 1/20 0.38
PPARA Q07869 2/20 0.35
GGPS1 O95749 1/20 0.35
FDPS P14324 1/20 0.34
GBA1 P04062 1/20 0.34

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
SCHEMBL11263390 1.00 EPHX1 (0.44) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL8755422 1.00 EPHX1 (0.44) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL9207849 1.00 EPHX1 (0.44) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL9210932 1.00 EPHX1 (0.44) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL11416088 1.00 EPHX1 (0.44) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL8755205 1.00 EPHX1 (0.44) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL11785442 1.00 EPHX1 (0.44) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL22623546 1.00 EPHX1 (0.44) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL21236821 1.00 EPHX1 (0.44) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL9211623 1.00 EPHX1 (0.44) EPHX1TSHRALDH1A1ADH1BADH1C

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-4357476-A Nonylamines CIBA GEIGY CORPORATION, N.Y. (US) 1982-11-02 US disclosed
US-4139560-A Nonylamines CIBA GEIGY CORPORATION (US) 1979-02-13 US disclosed