SCHEMBL28100159

SCHEMBL28100159

CC[CH]CC(C)CCCCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.45
ADH1C P00326 1/20 0.45
ADH1A P07327 1/20 0.45
ADH4 P08319 1/20 0.45
ADH7 P40394 1/20 0.45
ACE2 Q9BYF1 1/20 0.44
OPRM1 P35372 1/20 0.41
SPHK1 Q9NYA1 1/20 0.39
LMNA P02545 1/20 0.38
DNM1 Q05193 2/20 0.37
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.36
PRKD3 O94806 1/20 0.35
PRKCG P05129 1/20 0.35
PRKCB P05771 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCH P24723 1/20 0.35
PRKCI P41743 1/20 0.35
PRKCE Q02156 1/20 0.35
PRKCQ Q04759 1/20 0.35

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
SCHEMBL2967052 1.00 ADH1B (0.45) ADH1BADH1CADH1AADH4ADH7
SCHEMBL14812198 1.00 ADH1B (0.45) ADH1BADH1CADH1AADH4ADH7
SCHEMBL3885142 0.98 OPRM1 (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL3334444 0.91 DNM1 (0.35) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11314110 0.86 OPRM1 (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL10596634 0.84 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL9627298 0.84 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11615494 0.84 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL22471830 0.84 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL27791022 0.84 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