SCHEMBL5301387

SCHEMBL5301387

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.56
OPRM1 P35372 1/20 0.48
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.44
THRB P10828 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44
DNM1 Q05193 2/20 0.43
PRKD3 O94806 1/20 0.43
PRKCG P05129 1/20 0.43
PRKCB P05771 1/20 0.43
PRKCA P17252 1/20 0.43
PRKCH P24723 1/20 0.43
PRKCI P41743 1/20 0.43
PRKCE Q02156 1/20 0.43
PRKCQ Q04759 1/20 0.43
PRKCZ Q05513 1/20 0.43
PRKCD Q05655 1/20 0.43
PRKD1 Q15139 1/20 0.43
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41

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
SCHEMBL31509393 1.00 ACE2 (0.56) ACE2OPRM1LMNATSHRTHRB
SCHEMBL31011238 1.00 ACE2 (0.56) ACE2OPRM1LMNATSHRTHRB
SCHEMBL31508761 1.00 ACE2 (0.56) ACE2OPRM1LMNATSHRTHRB
SCHEMBL31509274 1.00 ACE2 (0.56) ACE2OPRM1LMNATSHRTHRB
SCHEMBL31134355 1.00 ACE2 (0.56) ACE2OPRM1LMNATSHRTHRB
SCHEMBL31134438 1.00 ACE2 (0.56) ACE2OPRM1LMNATSHRTHRB
SCHEMBL23673098 1.00 ACE2 (0.56) ACE2OPRM1LMNATSHRTHRB
SCHEMBL31508902 1.00 ACE2 (0.56) ACE2OPRM1LMNATSHRTHRB
SCHEMBL5294632 1.00 ACE2 (0.56) ACE2OPRM1LMNATSHRTHRB
SCHEMBL31259135 1.00 ACE2 (0.56) ACE2OPRM1LMNATSHRTHRB

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
WO-2007012980-A1 TOBACCO WITH AN INCREASED LEVEL OF NATURAL TAR DILUTENTS PHILIP MORRIS PRODUCTS S.A. (CH) 2007-02-01 WO claimed