SCHEMBL2139676

SCHEMBL2139676

CCOC(=O)/C(C#N)=C\c1ccc(/C=C(/C#N)C(=O)OCC)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.81
MAPT P10636 7/20 0.81
KDM4E B2RXH2 3/20 0.81
PKM P14618 1/20 0.72
HTT P42858 1/20 0.72
KMT2A Q03164 5/20 0.71
MEN1 O00255 4/20 0.71
TDP1 Q9NUW8 2/20 0.71
L3MBTL1 Q9Y468 2/20 0.71
NPC1 O15118 1/20 0.71
MAPK1 P28482 1/20 0.71
CASP3 P42574 1/20 0.71
RAB9A P51151 1/20 0.71
SENP8 Q96LD8 1/20 0.71
SENP7 Q9BQF6 1/20 0.71
SENP6 Q9GZR1 1/20 0.71
PDCD1 Q15116 1/20 0.68
CD274 Q9NZQ7 1/20 0.68
PTP4A1 Q93096 1/20 0.67
CRHBP P24387 1/20 0.67

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
SCHEMBL2139678 1.00 ALDH1A1 (0.81) ALDH1A1MAPTKDM4EPKMHTT
SCHEMBL4317761 1.00 ALDH1A1 (0.81) ALDH1A1MAPTKDM4EPKMHTT
SCHEMBL20278911 0.95 ALDH1A1 (0.74) ALDH1A1MAPTKDM4EPKMHTT
SCHEMBL8998890 0.95 ALDH1A1 (0.74) ALDH1A1MAPTKDM4EPKMHTT
SCHEMBL8998886 0.95 ALDH1A1 (0.74) ALDH1A1MAPTKDM4EPKMHTT
SCHEMBL268529 0.94 ALDH1A1 (0.72) ALDH1A1MAPTKDM4EPKMHTT
SCHEMBL268530 0.94 ALDH1A1 (0.72) ALDH1A1MAPTKDM4EPKMHTT
SCHEMBL10346450 0.94 ALDH1A1 (0.72) ALDH1A1MAPTKDM4EPKMHTT
SCHEMBL21457701 0.92 ALDH1A1 (0.71) ALDH1A1MAPTKDM4EPKMHTT
SCHEMBL4141290 0.92 ALDH1A1 (0.71) ALDH1A1MAPTKDM4EPKMHTT

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-2242774-B2 SELF-REPAIRING COMPOSITION, SELF-REPAIRING MATERIALS, SELF-REPAIRING METHODS AND APPLICATIONS CATALYSE (FR) 2018-09-26 EP claimed
US-9249237-B2 Self-repairing composition, self-repairing materials, self-repairing methods and applications CATALYSE (FR) 2016-02-02 US claimed
EP-2242774-B1 SELF-REPAIRING COMPOSITION, SELF-REPAIRING MATERIALS, SELF-REPAIRING METHODS AND APPLICATIONS CATALYSE (FR) 2013-01-09 EP claimed
US-20110057340-A1 SELF-REPAIRING COMPOSITION, SELF-REPAIRING MATERIALS, SELF-REPAIRING METHODS AND APPLICATIONS CATALYSE (FR) 2011-03-10 US claimed
US-9249237-B2 Self-repairing composition, self-repairing materials, self-repairing methods and applications CATALYSE (FR) 2016-02-02 US disclosed
US-20120202912-A1 SURFACE TREATMENT BY PHOTOPOLYMERISATION TO OBTAIN BIOCIDAL PROPERTIES DESARROLLO DEL GRAFTING S.L. (ES) 2012-08-09 US disclosed
US-20110057340-A1 SELF-REPAIRING COMPOSITION, SELF-REPAIRING MATERIALS, SELF-REPAIRING METHODS AND APPLICATIONS CATALYSE (FR) 2011-03-10 US disclosed
US-20050095266-A1 Surface treatment by photopolymerisation to obtain biocidal properties DESARROLLO DEL GRAFTING S.L. (ES) 2005-05-05 US disclosed