SCHEMBL11615494

SCHEMBL11615494

CCCCCCCCCCCCCCCCC[CH]CC(C)CCCCCCCCCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.44
ADH1C P00326 1/20 0.44
ADH1A P07327 1/20 0.44
ADH4 P08319 1/20 0.44
ADH7 P40394 1/20 0.44
ACE2 Q9BYF1 1/20 0.42
TSHR P16473 3/20 0.39
OPRM1 P35372 1/20 0.39
SPHK1 Q9NYA1 1/20 0.38
LMNA P02545 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
DNM1 Q05193 1/20 0.36
FAAH O00519 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
THRB P10828 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
SCHEMBL28021270 1.00 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL28317390 1.00 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL28100082 1.00 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL26969341 1.00 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL27976783 1.00 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL22471830 1.00 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL27867466 1.00 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL28100178 1.00 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL9627298 1.00 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL16333470 0.96 DNM1 (0.41) 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
US-4122191-A SUBSTITUTED BENZALDEHYDES OR PHENYL ALKYL KETONES RICHARDSON-MERRELL INC. (US) 1978-10-24 US disclosed