SCHEMBL8608643

SCHEMBL8608643

C=COCc1ccccc1O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.55
HSPA5 P11021 1/20 0.48
KEAP1 Q14145 1/20 0.44
TSHR P16473 2/20 0.43
CYP2D6 P10635 1/20 0.43
HIF1A Q16665 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
AKR1B1 P15121 1/20 0.42
CA12 O43570 5/20 0.41
CA2 P00918 5/20 0.41
CA9 Q16790 4/20 0.39
MPO P05164 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
APP P05067 1/20 0.38

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
SCHEMBL8602403 0.84 IDO1 (0.38) IDO1TSHRKDM4E
SCHEMBL29728038 0.84 IDO1 (0.38) IDO1TSHRKDM4E
SCHEMBL8468499 0.79 APOBEC3G (0.39) IDO1TSHR
SCHEMBL5519689 0.79 IDO1 (0.55) IDO1HSPA5KEAP1TSHRCYP2D6
SCHEMBL896087 0.77 MEN1 (0.34)
SCHEMBL7748871 0.76 IDO1 (0.52) IDO1HSPA5KEAP1TSHRCYP2D6
SCHEMBL557812 0.76 IDO1 (0.61) IDO1HSPA5KEAP1TSHRCYP2D6
SCHEMBL28923748 0.75 ALDH1A1 (0.40) TSHR
SCHEMBL14440983 0.75 IDO1 (0.55) IDO1TAAR1
SCHEMBL896089 0.75 CDK4 (0.42) TSHRTAAR1

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
CN-116217317-A Method for synthesizing vinyl ether by catalytic conversion of biomass-based small molecular alcohol 天津理工大学 2023-06-06 CN disclosed
US-5714287-A Simulated photographic-quality prints using a transparent substrate containing a wrong reading image and a backing sheet containing an adhesive coating which enhances image optical density XEROX CORPORATION (US) 1998-02-03 US disclosed