SCHEMBL9739198

SCHEMBL9739198

CC[CH]CCCC(C)CCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.44
OPRM1 P35372 1/20 0.41
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH4 P08319 1/20 0.41
ADH7 P40394 1/20 0.41
LMNA P02545 2/20 0.39
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
PRKCZ Q05513 1/20 0.35
PRKCD Q05655 1/20 0.35
PRKD1 Q15139 1/20 0.35
CA1 P00915 2/20 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
SCHEMBL3904371 0.95 ACE2 (0.44) ACE2OPRM1ADH1BADH1CADH1A
SCHEMBL28081031 0.93 ACE2 (0.47) ACE2OPRM1ADH1BADH1CADH1A
SCHEMBL28937911 0.93 ACE2 (0.36) ACE2OPRM1ADH1BADH1CADH1A
SCHEMBL20448134 0.89 ACE2 (0.42) ACE2OPRM1ADH1BADH1CADH1A
SCHEMBL3890572 0.88 TSHR (0.39) ACE2LMNA
SCHEMBL3898836 0.84 ACE2 (0.36) ACE2OPRM1ADH1BADH1CADH1A
SCHEMBL29105775 0.84 ACE2 (0.50) ACE2OPRM1ADH1BADH1CADH1A
SCHEMBL21219902 0.83 ACE2 (0.46) ACE2OPRM1ADH1BADH1CADH1A
SCHEMBL1974659 0.83 ACE2 (0.46) ACE2OPRM1ADH1BADH1CADH1A
SCHEMBL1969153 0.83 ACE2 (0.41) ACE2OPRM1ADH1BADH1CADH1A

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-5126374-A For plants, seeds, soils, effective at low concentrations BASF AKTIENGESELLSCHAFT (DE) 1992-06-30 US disclosed