SCHEMBL6358945

SCHEMBL6358945

CCC(C(=O)O)=C(C#N)c1ccc(-c2ccccc2Cl)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ERCC5 P28715 1/20 0.54
FEN1 P39748 1/20 0.54
RAB9A P51151 5/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
CASP3 P42574 1/20 0.49
RECQL P46063 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
HPGD P15428 2/20 0.48
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 2/20 0.48
TP53 P04637 2/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL14472260 1.00 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ANPSR1ERCC5
SCHEMBL14472215 0.82 MEN1 (0.51) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6355620 0.82 MEN1 (0.51) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2138004 0.81 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ANPSR1ERCC5
SCHEMBL14472204 0.81 ERCC5 (0.52) ALDH1A1MEN1KMT2AERCC5FEN1
SCHEMBL6363328 0.81 ERCC5 (0.52) ALDH1A1MEN1KMT2AERCC5FEN1
SCHEMBL6361951 0.79 S1PR4 (0.48) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL14472244 0.79 S1PR4 (0.48) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL4987351 0.73 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ANPSR1ERCC5
SCHEMBL29352723 0.73 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ANPSR1ERCC5

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 4 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
EP-2242774-B1 SELF-REPAIRING COMPOSITION, SELF-REPAIRING MATERIALS, SELF-REPAIRING METHODS AND APPLICATIONS CATALYSE (FR) 2013-01-09 EP claimed
US-20120202912-A1 SURFACE TREATMENT BY PHOTOPOLYMERISATION TO OBTAIN BIOCIDAL PROPERTIES DESARROLLO DEL GRAFTING S.L. (ES) 2012-08-09 US disclosed
US-20050095266-A1 Surface treatment by photopolymerisation to obtain biocidal properties DESARROLLO DEL GRAFTING S.L. (ES) 2005-05-05 US disclosed