SCHEMBL1110063

SCHEMBL1110063

CCCCCC(C)CCC(C)CS

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.52
OPRM1 P35372 1/20 0.44
LMNA P02545 2/20 0.42
PRKD3 O94806 1/20 0.37
PRKCG P05129 1/20 0.37
PRKCB P05771 1/20 0.37
PRKCA P17252 1/20 0.37
PRKCH P24723 1/20 0.37
PRKCI P41743 1/20 0.37
PRKCE Q02156 1/20 0.37
PRKCQ Q04759 1/20 0.37
PRKCZ Q05513 1/20 0.37
PRKCD Q05655 1/20 0.37
PRKD1 Q15139 1/20 0.37
CA1 P00915 2/20 0.37
SPHK1 Q9NYA1 1/20 0.37
TP53 P04637 1/20 0.35
DNM1 Q05193 2/20 0.35
ADH1B P00325 1/20 0.34
ADH1C P00326 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
SCHEMBL1557007 0.95
SCHEMBL3097394 0.92 ACE2 (0.48) ACE2OPRM1LMNACA1SPHK1
SCHEMBL8884583 0.92 ACE2 (0.48) ACE2OPRM1LMNACA1SPHK1
SCHEMBL1556471 0.92 ACE2 (0.48) ACE2OPRM1LMNACA1SPHK1
SCHEMBL17220701 0.92 ACE2 (0.48) ACE2OPRM1LMNACA1SPHK1
SCHEMBL1906847 0.92 ACE2 (0.48) ACE2OPRM1LMNACA1SPHK1
SCHEMBL1557071 0.92 ACE2 (0.48) ACE2OPRM1LMNACA1SPHK1
Iodide SCHEMBL9094748 0.90 ACE2 (0.47) ACE2OPRM1LMNAPRKD3PRKCG
Hydrochloric Acid SCHEMBL9776519 0.90 ACE2 (0.47) ACE2OPRM1LMNAPRKD3PRKCG
SCHEMBL3090797 0.87

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
EP-2280009-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS AND FUNGICIDES FOR AGRICULTURAL AND HORTICULTURAL USE Nippon Soda Co., Ltd. (JP) 2011-02-02 EP disclosed