SCHEMBL8100591

SCHEMBL8100591

O=C(O)CC(=O)Cc1ccccc1O

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.69
HIF1A Q16665 2/20 0.48
TSHR P16473 2/20 0.48
CYP2D6 P10635 1/20 0.48
HSPA5 P11021 1/20 0.48
CA12 O43570 5/20 0.45
CA2 P00918 5/20 0.45
PKM P14618 1/20 0.44
TTR P02766 1/20 0.44
CA9 Q16790 4/20 0.44
SIGMAR1 Q99720 1/20 0.43
NOX4 Q9NPH5 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
MPO P05164 2/20 0.42
MMP12 P39900 1/20 0.42

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
SCHEMBL1737314 0.87 AKR1B1 (0.74) AKR1B1HIF1ATSHRCYP2D6HSPA5
SCHEMBL30451705 0.87 AKR1B1 (0.74) AKR1B1HIF1ATSHRCYP2D6HSPA5
SCHEMBL72309 0.82 AKR1B1 (1.00) AKR1B1HIF1ATSHRCYP2D6HSPA5
SCHEMBL30449014 0.82 AKR1B1 (1.00) AKR1B1HIF1ATSHRCYP2D6HSPA5
SCHEMBL4031727 0.82 AKR1B1 (0.67) AKR1B1TSHRHSPA5PKMSIGMAR1
SCHEMBL4006576 0.81 AKR1B1 (0.65) AKR1B1HIF1ATSHRCYP2D6HSPA5
Ammonia Solution, Strong SCHEMBL10886656 0.80 AKR1B1 (0.95) AKR1B1HIF1ATSHRCYP2D6HSPA5
SCHEMBL4284420 0.80 AKR1B1 (0.95) AKR1B1HIF1ATSHRCYP2D6HSPA5
Potassium SCHEMBL4278025 0.80 AKR1B1 (0.95) AKR1B1HIF1ATSHRCYP2D6HSPA5
Hydrochloric Acid SCHEMBL8622012 0.80 AKR1B1 (0.95) AKR1B1HIF1ATSHRCYP2D6HSPA5

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
US-6013983-A Transparent colored conductive film DAI NIPPON PRINTING CO., LTD. (JP) 2000-01-11 US disclosed