SCHEMBL7548580

SCHEMBL7548580

CC(C)(C)OC(=O)C(C#N)=CO

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.34
CTSK P43235 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30
KDM4E B2RXH2 1/20 0.30
DGAT1 O75907 1/20 0.30
RPS6KA3 P51812 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
SCHEMBL13966679 1.00 CYP2C9 (0.34) CYP2C9CTSKMEN1ALDH1A1KMT2A
SCHEMBL21160731 0.82 CYP2C9 (0.33) CYP2C9CTSKMEN1ALDH1A1KMT2A
SCHEMBL11124177 0.79 MEN1 (0.33) CYP2C9CTSKMEN1KMT2AKDM4E
SCHEMBL4739622 0.79 CYP2C9 (0.59) CYP2C9MEN1ALDH1A1KMT2AKDM4E
SCHEMBL21160710 0.79 CTSK (0.33) CYP2C9CTSKMEN1ALDH1A1KMT2A
SCHEMBL4739623 0.79 CYP2C9 (0.59) CYP2C9MEN1ALDH1A1KMT2AKDM4E
SCHEMBL1585339 0.79 CYP2C9 (0.39) CYP2C9CTSKMEN1ALDH1A1KMT2A
SCHEMBL1585341 0.76 CYP2C9 (0.40) CYP2C9CTSKMEN1ALDH1A1KMT2A
SCHEMBL15156424 0.76 CTSK (0.34) CYP2C9CTSKMEN1ALDH1A1KMT2A
SCHEMBL15156427 0.76 CTSK (0.34) CYP2C9CTSKMEN1ALDH1A1KMT2A

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-1213609-A2 High contrast thermally-developable imaging materials containing barrier layer EASTMAN KODAK COMPANY (US) 2002-06-12 EP disclosed
US-6352819-B1 MATERIAL COMPRISING SUPPORT, THERMALLY-DEVELOPABLE IMAGING LAYER COMPRISING BINDER, PHOTOSENSITIVE SILVER HALIDE, SOURCE OF REDUCIBLE SILVER IONS, REDUCING AGENT AND HIGH CONTRAST AGENT, AND BARRIER LAYER COMPRISING FILM FORMING POLYMER EASTMAN KODAK COMPANY 2002-03-05 US disclosed