SCHEMBL11215327

SCHEMBL11215327

CC(=O)OOC(=O)C(C#N)=C(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
MAPK1 P28482 4/20 0.49
LMNA P02545 3/20 0.49
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.44
XBP1 P17861 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
ELANE P08246 1/20 0.38
F2 P00734 1/20 0.37
DHODH Q02127 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
HPGD P15428 2/20 0.35
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
HSD17B10 Q99714 1/20 0.34
CYP19A1 P11511 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
SCHEMBL548361 0.81 ALDH1A1 (0.52) ALDH1A1MAPK1LMNARAB9AMAPT
SCHEMBL11408376 0.80 ALDH1A1 (0.55) ALDH1A1MAPK1LMNARAB9AMAPT
SCHEMBL10061925 0.79 ALDH1A1 (0.51) ALDH1A1MAPK1LMNARAB9AMAPT
SCHEMBL5533631 0.78 ALDH1A1 (0.50) ALDH1A1MAPK1LMNARAB9AMAPT
SCHEMBL21268071 0.78 ALDH1A1 (0.49) ALDH1A1MAPK1LMNARAB9AMAPT
SCHEMBL12421596 0.78 ALDH1A1 (0.49) ALDH1A1MAPK1LMNARAB9AMAPT
SCHEMBL11418836 0.78 ALDH1A1 (0.56) ALDH1A1MAPK1LMNARAB9AMAPT
SCHEMBL11425135 0.78 ALDH1A1 (0.56) ALDH1A1MAPK1LMNARAB9AMAPT
Etocrylene SCHEMBL39390 0.77 ALDH1A1 (0.62) ALDH1A1MAPK1LMNARAB9AMAPT
Etocrylene SCHEMBL1768864 0.77 ALDH1A1 (0.62) ALDH1A1MAPK1LMNARAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0026339-B1 RADIATION CURABLE COATING COMPOSITION AND PROCESS FOR COATING A SUBSTRATE THEREWITH GAF CORPORATION (US) 1983-11-30 EP disclosed