SCHEMBL15914263

SCHEMBL15914263

C/C(=C\CCNC(=O)Nc1ccc(C#N)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.53
SAE1 Q9UBE0 1/20 0.50
UBA2 Q9UBT2 1/20 0.50
MAPT P10636 3/20 0.48
LMNA P02545 3/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
NLRP3 Q96P20 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
IL18 Q14116 1/20 0.47
ALDH1A1 P00352 2/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44

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
SCHEMBL15914265 1.00 CNR1 (0.53) CNR1SAE1UBA2MAPTLMNA
SCHEMBL5670853 0.85 MAOA (0.46) CNR1MAPTTSHRHTTMEN1
SCHEMBL8550844 0.85 ALDH1A1 (0.53) CNR1MEN1KMT2APOLBRAB9A
SCHEMBL4942266 0.85 MAOA (0.46) CNR1MAPTTSHRHTTMEN1
SCHEMBL8550837 0.85 ALDH1A1 (0.53) CNR1MEN1KMT2APOLBRAB9A
SCHEMBL8549835 0.85 EPHX1 (0.54) MAPTLMNATSHRHTTMEN1
SCHEMBL8549827 0.85 EPHX1 (0.54) MAPTLMNATSHRHTTMEN1
SCHEMBL8550251 0.84 NAMPT (0.47) CNR1MAPTHTTMEN1KMT2A
SCHEMBL8550248 0.84 NAMPT (0.47) CNR1MAPTHTTMEN1KMT2A
SCHEMBL31122213 0.84 CNR1 (0.44) CNR1MAPTLMNAHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9822206-B2 Copolymers for near-infrared radiation-sensitive coating compositions for positive-working thermal lithographic printing plates MYLAN GROUP (VN) 2017-11-21 US disclosed
EP-2566900-B1 COPOLYMERS FOR NEAR-INFRARED RADIATION-SENSITIVE COATING COMPOSITIONS FOR POSITIVE-WORKING THERMAL LITHOGRAPHIC PRINTING PLATES MYLAN GROUP (VN) 2016-02-17 EP disclosed
US-20140221591-A1 COPOLYMERS FOR NEAR-INFRARED RADIATION-SENSITIVE COATING COMPOSITIONS FOR POSITIVE-WORKING THERMAL LITHOGRAPHIC PRINTING PLATES MYLAN GROUP (VN) 2014-08-07 US disclosed