SCHEMBL10970276

SCHEMBL10970276

O=C(O)C1(O)c2ccccc2-c2ccc(F)cc21

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.70
▸ TDP1 Q9NUW8 1/20 0.70
▸ PDK2 Q15119 12/20 0.57
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HIF1A Q16665 1/20 0.39

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
SCHEMBL11469925 0.84 THRB (1.00) THRBTDP1PDK2CA1CA2
SCHEMBL66735 0.84 THRB (1.00) THRBTDP1PDK2CA1CA2
SCHEMBL30488775 0.84 THRB (1.00) THRBTDP1PDK2CA1CA2
Bromide SCHEMBL27743796 0.82 THRB (0.95) THRBTDP1PDK2CA1CA2
SCHEMBL9671734 0.81 PDK2 (0.51) THRBTDP1PDK2
SCHEMBL25134343 0.80 THRB (0.70) THRBTDP1PDK2CA1CA2
SCHEMBL68561 0.80 THRB (0.70) THRBTDP1PDK2
SCHEMBL30519841 0.80 THRB (0.70) THRBTDP1PDK2
Methyl Alcohol SCHEMBL21134117 0.80 THRB (0.91) THRBTDP1PDK2
Bromomethane SCHEMBL208217 0.78 THRB (0.88) THRBTDP1PDK2

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
EP-0137333-A2 Spiro-tricyclicaromatic succinimide derivatives as inhibitors of aldose reductase ALCON LABORATORIES, INC. (US) 1985-04-17 — — EP disclosed
Send feedback