SCHEMBL20163589

SCHEMBL20163589

CCCCC(=CN)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.44
CES2 O00748 5/20 0.44
FAAH O00519 3/20 0.41
ALDH1A1 P00352 3/20 0.41
TP53 P04637 2/20 0.41
SOAT1 P35610 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
CA1 P00915 1/20 0.39
CNR1 P21554 1/20 0.38
KDM4E B2RXH2 2/20 0.37
AKR1B1 P15121 1/20 0.36
TSHR P16473 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
GPR84 Q9NQS5 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
SCHEMBL7066820 0.86
Hydrochloric Acid SCHEMBL28862021 0.84 CES2 (0.38) CES1CES2FAAHALDH1A1TP53
SCHEMBL8775347 0.84 CES1 (0.46) CES1CES2FAAHALDH1A1TP53
Formamide SCHEMBL28689558 0.83 CES1 (0.41) CES1CES2FAAHALDH1A1TP53
SCHEMBL5528823 0.82 CES1 (0.44) CES1CES2ALDH1A1TP53MEN1
SCHEMBL27652483 0.82 CES1 (0.44) CES1CES2FAAHALDH1A1TP53
SCHEMBL381319 0.80 CES1 (0.42) CES1CES2FAAHALDH1A1TP53
SCHEMBL4742990 0.80 CES1 (0.42) CES1CES2FAAHALDH1A1TP53
SCHEMBL28203317 0.80 CES1 (0.42) CES1CES2FAAHALDH1A1TP53
SCHEMBL381320 0.80 CES1 (0.42) CES1CES2FAAHALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3542193-A1 METHOD FOR MAKING OPHTHALMIC LENSES Novartis AG (CH) 2019-09-25 EP disclosed
US-20180141293-A1 METHOD FOR MAKING OPHTHALMIC LENSES ALCON INC. (CH) 2018-05-24 US disclosed
CN-103917590-B Rubber combination and studless tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2016-06-01 CN disclosed
CN-102206353-A Method for producing conjugated diene polymer composition SUMITOMO CHEMICAL CO 2011-10-05 CN disclosed
CN-100419007-C Ambient cure coating and coated rubber products formed therefrom LORD CORP (US) 2008-09-17 CN disclosed
CN-1330678-C Method for preparing modified dienopolymer rubber SUMITOMO CHEMICAL CO (JP) 2007-08-08 CN disclosed
CN-1671779-A Ambient cured coatings and coated rubber products therefrom LORD CORP (US) 2005-09-21 CN disclosed
CN-1530379-A Method for preparing modified dienopolymer rubber 住友化学工业株式会社 2004-09-22 CN disclosed