SCHEMBL6927665

SCHEMBL6927665

C=CC(=O)OCCOc1ccc(O)c(O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.62
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA4 P22748 2/20 0.50
CA6 P23280 2/20 0.50
CA5A P35218 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
TSHR P16473 6/20 0.46
ALDH1A1 P00352 4/20 0.46
TP53 P04637 3/20 0.46
HIF1A Q16665 3/20 0.46
HSD17B10 Q99714 3/20 0.46
ADRB2 P07550 1/20 0.43
APP P05067 7/20 0.43
HPGD P15428 2/20 0.42
YWHAG P61981 1/20 0.42
CYP3A4 P08684 3/20 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
SCHEMBL10521200 0.89 THRB (0.60) THRBCA12CA1CA4CA6
SCHEMBL2612498 0.85 THRB (0.73) THRBCA12CA1CA4CA6
SCHEMBL10046612 0.85 THRB (0.68) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL9489063 0.85 THRB (0.83) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL21808892 0.83 THRB (0.54) THRBCA12CA1CA4CA6
SCHEMBL9633402 0.82 THRB (0.78) THRBCA12CA1CA4CA6
SCHEMBL10314172 0.82 THRB (0.63) THRBCA12CA1CA4CA6
SCHEMBL12752304 0.81 THRB (0.71) THRBCA12CA1CA4CA6
SCHEMBL23583611 0.81 THRB (0.67) THRBCA12CA1CA4CA6
SCHEMBL21638058 0.81 THRB (0.67) THRBCA12CA1CA4CA6

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-20030129521-A1 Photopolymerizable composition and recording material FUJI PHOTO FILM CO., LTD. 2003-07-10 US disclosed