SCHEMBL20163587

SCHEMBL20163587

CCCCC(N)=C(C)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.46
CES2 O00748 5/20 0.46
ALDH1A1 P00352 3/20 0.42
TP53 P04637 2/20 0.42
CA1 P00915 1/20 0.41
FAAH O00519 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
SOAT1 P35610 1/20 0.38
THRB P10828 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PGGT1B P53609 1/20 0.38
AKR1B1 P15121 1/20 0.37
PPARG P37231 3/20 0.36
PPARD Q03181 3/20 0.36
PPARA Q07869 3/20 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
SCHEMBL10698087 1.00 CES1 (0.46) CES1CES2ALDH1A1TP53CA1
SCHEMBL27647837 0.91 CES2 (0.50) CES1CES2ALDH1A1TP53FAAH
SCHEMBL3508068 0.91 CES2 (0.50) CES1CES2ALDH1A1TP53FAAH
SCHEMBL116654 0.85 CES1 (0.41) CES1CES2ALDH1A1TP53FAAH
SCHEMBL2151557 0.85 CES1 (0.41) CES1CES2ALDH1A1TP53FAAH
SCHEMBL5202979 0.84 FNTA (0.50) CES1CES2ALDH1A1TP53CA1
Hydrochloric Acid SCHEMBL8900380 0.83 CES1 (0.39) CES1CES2ALDH1A1TP53FAAH
Hydrochloric Acid SCHEMBL7043539 0.83 CES1 (0.39) CES1CES2ALDH1A1TP53FAAH
SCHEMBL2469796 0.81 CES1 (0.46) CES1CES2ALDH1A1TP53CA1
SCHEMBL28779585 0.81 CES1 (0.46) CES1CES2ALDH1A1TP53CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1809652-B Surface-coating method COMMISSARIAT ENERGIE ATOMIQUE 2010-04-28 CN claimed
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-101437901-A Modification of solid surfaces by means of polymer combinations RHODIA OPERATIONS (FR) 2009-05-20 CN disclosed
CN-100419007-C Ambient cure coating and coated rubber products formed therefrom LORD CORP (US) 2008-09-17 CN disclosed
CN-100341901-C Synthesis of polymer and film of the polymer HIPRAY CO (US) 2007-10-10 CN disclosed
CN-1312754-C FOrmation of air-gap SHIPLEY CO LLC (US) 2007-04-25 CN disclosed
CN-1255459-C Porous material CYPRI INC (US) 2006-05-10 CN disclosed
CN-1671779-A Ambient cured coatings and coated rubber products therefrom LORD CORP (US) 2005-09-21 CN disclosed
CN-1495877-A FOrmation of air-gap ϣ 2004-05-12 CN disclosed
CN-1384123-A Synthesis of polymer and film of the polymer HIPRAY CO (US) 2002-12-11 CN disclosed
CN-1347932-A Porous material CYPRI INC (US) 2002-05-08 CN disclosed