SCHEMBL28100015

SCHEMBL28100015

CCCCCCC[CH]CC(C)CCC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
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
TSHR P16473 4/20 0.39
DNM1 Q05193 5/20 0.36
FAAH O00519 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
THRB P10828 1/20 0.35
OPRM1 P35372 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
SPHK1 Q9NYA1 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL10689088 1.00 ADH1B (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL10497894 1.00 ADH1B (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL8299370 0.98 TSHR (0.37) ADH1BADH1CADH1AADH4ADH7
SCHEMBL9627298 0.91 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL28100073 0.91 DNM1 (0.41) ADH1BADH1CADH1AADH4ADH7
SCHEMBL28100082 0.91 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11615494 0.91 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL22471830 0.91 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL16333470 0.91 DNM1 (0.41) ADH1BADH1CADH1AADH4ADH7
SCHEMBL28100178 0.91 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7

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
CN-103619987-B Color converter 巴斯夫欧洲公司 2016-11-16 CN disclosed