SCHEMBL169432

SCHEMBL169432

C=CC(=O)N(CO)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
GLA P06280 2/20 0.46
TSHR P16473 1/20 0.46
GSTO1 P78417 3/20 0.44
PSMB5 P28074 2/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
BCL2A1 Q16548 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
AKT1 P31749 1/20 0.41
HTT P42858 2/20 0.41
TP53 P04637 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PAX8 Q06710 1/20 0.40

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
SCHEMBL2992708 0.87 GSTO1 (0.54) ALDH1A1GLATSHRGSTO1PSMB5
SCHEMBL14488322 0.84 ADRA2C (0.45) ALDH1A1GLATSHRGSTO1PSMB5
SCHEMBL19456786 0.83 NPC1 (0.51) ALDH1A1GLATSHRGSTO1PSMB5
SCHEMBL194846 0.83 ALDH1A1 (0.63) ALDH1A1GLATSHRTRPM8SMN1; SMN2
SCHEMBL4202416 0.83 ALDH1A1 (0.44) ALDH1A1GLATSHRGSTO1PSMB5
SCHEMBL25434439 0.83 BCL2A1 (0.44) ALDH1A1GLATSHRGSTO1PSMB5
SCHEMBL27847921 0.81 TRPM8 (0.64) ALDH1A1GLAGSTO1TRPM8BCL2A1
SCHEMBL29173216 0.80 TRPM8 (0.46) ALDH1A1GLATSHRGSTO1TRPM8
SCHEMBL7776833 0.80 TGM2 (0.43) GSTO1PSMB5BCL2A1
SCHEMBL20314798 0.80 GSTO1 (0.58) ALDH1A1GLATSHRGSTO1PSMB5

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
WO-2015116960-A1 COMPOSITIONS FOR HIGH SPEED PRINTING OF CONDUCTIVE MATERIALS FOR ELECTRONIC CIRCUITRY TYPE APPLICATIONS, AND METHODS RELATING E. I. DU PONT DE NEMOURS AND COMPANY (US) 2015-08-06 WO disclosed
EP-2082875-B1 Lithographic printing plate precursor and plate making method using the precursor FUJIFILM CORP (JP) 2012-03-07 EP disclosed
WO-2009045692-A1 MULTILAYER POLYMERIC ARTICLE HAVING A METALLIC VARIEGATED-LOOK ARKEMA FRANCE (FR) 2009-04-09 WO disclosed
US-4709041-A 2-(formylphenyl) benzotriazole intermediates POLAROID CORPORATION (US) 1987-11-24 US disclosed