SCHEMBL9015672

SCHEMBL9015672

CCOC(=O)CC1(C#N)C=CC=CC1C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TRPA1 O75762 1/20 0.31
TSHR P16473 1/20 0.30
GLA P06280 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL9023062 0.67 GLA (0.34) ALDH1A1MAPTGLAKMT2A
SCHEMBL7110840 0.65 ALDH1A1 (0.37) ALDH1A1GAAMAPTHSD17B10MGAM
SCHEMBL7162457 0.65 ALDH1A1 (0.37) ALDH1A1GAAMAPTHSD17B10MGAM
SCHEMBL9209379 0.64 GAA (0.41) ALDH1A1GAAMAPTHSD17B10MGAM
SCHEMBL6377829 0.64 ALDH1A1 (0.36) ALDH1A1GAAMAPTHSD17B10MGAM
SCHEMBL6377834 0.64 ALDH1A1 (0.36) ALDH1A1GAAMAPTHSD17B10MGAM
SCHEMBL10250139 0.62 MGAM (0.48) ALDH1A1GAAHSD17B10MGAMSI
SCHEMBL6335211 0.62 MGAM (0.35) ALDH1A1GAAMAPTHSD17B10MGAM
SCHEMBL14559651 0.62 EPHX2 (0.38) ALDH1A1GAAMAPTHSD17B10MGAM
SCHEMBL31375430 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0746799-A1 PHOTOTHERMOGRAPHIC ELEMENT WITH CORE-SHELL-TYPE SILVER HALIDE GRAINS Imation Corp (a Delaware Corporation) (US) 1996-12-11 EP disclosed
WO-1995022785-A1 PHOTOTHERMOGRAPHIC ELEMENT WITH CORE-SHELL-TYPE SILVER HALIDE GRAINS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-08-24 WO disclosed