SCHEMBL8634325

SCHEMBL8634325

O=C(O)C(=CO)Cc1ccccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.62
HSPA5 P11021 1/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HIF1A Q16665 2/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
BID P55957 1/20 0.38
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38
BAK1 Q16611 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TTR P02766 1/20 0.38
CA12 O43570 2/20 0.38
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 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
SCHEMBL27701269 0.84 AKR1B1 (0.60) AKR1B1HSPA5CYP3A4CYP2C9HIF1A
SCHEMBL2722897 0.82 CYP3A4 (0.64) AKR1B1HSPA5CYP3A4CYP2C9
SCHEMBL28021034 0.80 AKR1B1 (0.55) AKR1B1HSPA5CYP3A4CYP2C9TDP1
SCHEMBL30449014 0.78 AKR1B1 (1.00) AKR1B1HSPA5HIF1ACYP2D6TSHR
SCHEMBL72309 0.78 AKR1B1 (1.00) AKR1B1HSPA5HIF1ACYP2D6TSHR
SCHEMBL26606313 0.77 TDP1 (0.64) TDP1
SCHEMBL14353013 0.76 AKR1B1 (0.72) AKR1B1HSPA5HIF1ACYP2D6TSHR
SCHEMBL58883 0.76 AKR1B1 (0.72) AKR1B1HSPA5HIF1ACYP2D6TSHR
SCHEMBL14353014 0.76 AKR1B1 (0.72) AKR1B1HSPA5HIF1ACYP2D6TSHR
SCHEMBL8921169 0.76 CYP3A4 (0.66) AKR1B1CYP3A4CYP2C9TSHR

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-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