SCHEMBL3357013

SCHEMBL3357013

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.40
CES2 O00748 2/20 0.39
ALDH1A1 P00352 4/20 0.37
TP53 P04637 2/20 0.37
CA1 P00915 2/20 0.35
EPHX1 P07099 1/20 0.34
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
POLA1 P09884 1/20 0.33
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA2 P00918 1/20 0.33
MEN1 O00255 1/20 0.33
FAAH O00519 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
SOAT1 P35610 1/20 0.33
THRB P10828 1/20 0.33
FNTA P49354 1/20 0.33

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
SCHEMBL3360901 0.88 CTSD (0.38) CES1CES2ALDH1A1TSHRMAPT
SCHEMBL14291960 0.82 ALOX15 (0.41) CES1CES2ALDH1A1TP53CA1
SCHEMBL1017381 0.82 ALOX15 (0.41) CES1CES2ALDH1A1TP53CA1
SCHEMBL8513464 0.81 ALDH1A1 (0.50) CES1CES2ALDH1A1CYP1A2CYP3A4
SCHEMBL29188133 0.79 CES1 (0.43) CES1CES2ALDH1A1TP53CA1
SCHEMBL15756846 0.79 CES1 (0.43) CES1CES2ALDH1A1TP53CA1
SCHEMBL2896620 0.79 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL8191429 0.79 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL10698087 0.79 CES1 (0.46) CES1CES2ALDH1A1TP53CA1
SCHEMBL9003063 0.79 ALDH1A1 (0.39) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4213980-A1 AMINE MODIFIED POLYSACCHARIDE URETHANE/UREA MICROCAPSULES Encapsys, LLC (US) 2023-07-26 EP disclosed
WO-2022061103-A1 AMINE MODIFIED POLYSACCHARIDE URETHANE/UREA MICROCAPSULES ENCAPSYS, LLC (US) 2022-03-24 WO disclosed
US-8993112-B2 Polymeric particles BASF SE (DE) 2015-03-31 US disclosed
EP-1756184-B1 POLYMERIC PARTICLES BASF SE (DE) 2010-01-13 EP disclosed
US-20070255008-A1 Polymeric Particles CIBA CORPORATION 2007-11-01 US disclosed
EP-1756184-A1 POLYMERIC PARTICLES Ciba Specialty Chemicals Holding Inc. (CH) 2007-02-28 EP disclosed
WO-2005123796-A1 POLYMERIC PARTICLES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-12-29 WO disclosed