SCHEMBL16898151

SCHEMBL16898151

CCCCC[C@@H](C)CNO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.45
OPRM1 P35372 1/20 0.42
CA1 P00915 2/20 0.40
SPHK1 Q9NYA1 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
FDPS P14324 4/20 0.37
PRKD3 O94806 1/20 0.36
PRKCG P05129 1/20 0.36
PRKCB P05771 1/20 0.36
PRKCA P17252 1/20 0.36

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
SCHEMBL27647913 1.00 ACE2 (0.45) ACE2OPRM1CA1SPHK1LMNA
SCHEMBL29185878 0.98 ACE2 (0.48) ACE2OPRM1CA1SPHK1LMNA
Hydrochloric Acid SCHEMBL5718389 0.98 ACE2 (0.44) ACE2OPRM1CA1SPHK1LMNA
SCHEMBL27210137 0.98 ACE2 (0.48) ACE2OPRM1CA1SPHK1LMNA
SCHEMBL1678363 0.82
SCHEMBL5933387 0.80 TSHR (0.46) ACE2OPRM1CA1SPHK1LMNA
SCHEMBL28142199 0.79 ACE2 (0.48) ACE2OPRM1CA1SPHK1LMNA
SCHEMBL16426479 0.78 ADH1B (0.48) ACE2OPRM1SPHK1LMNALCK
SCHEMBL13893582 0.78 LMNA (0.31) LMNA
SCHEMBL13474807 0.78 OPRM1 (0.44) ACE2OPRM1CA1SPHK1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3092233-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2016-11-16 EP disclosed
WO-2015104684-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-07-16 WO disclosed