SCHEMBL10404684

SCHEMBL10404684

CCC(C=O)c1ccc(O)cc1O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 2/20 0.42
▸ HSP90AB1 P08238 1/20 0.41
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA7 P43166 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CA14 Q9ULX7 2/20 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
SCHEMBL5274961 0.82 HTT (0.44) TYRHSP90AB1
SCHEMBL8590396 0.79 ESR1 (0.41) —
SCHEMBL9500981 0.78 TSHR (0.57) TYRCA12CA2CA14
SCHEMBL27536513 0.76 TYR (0.50) TYRCA12CA1CA2CA7
SCHEMBL5439730 0.75 TYR (0.53) TYRHSP90AB1
SCHEMBL21830477 0.75 TYR (0.48) TYRHSP90AB1
SCHEMBL29492305 0.75 TYR (0.48) TYRHSP90AB1
SCHEMBL31544892 0.75 LMNA (0.50) TYRHSP90AB1
SCHEMBL27886552 0.74 NPC1 (0.46) —
SCHEMBL10404681 0.74 HSP90AB1 (0.47) TYRHSP90AB1CA12CA1CA2

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
US-4963463-A Radiation-sensitive resin composition with admixtures of O-quinone diazide and acid esters having nitrobenzyl or cyanobenzyl group JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1990-10-16 — — US disclosed
EP-0330406-A2 Radiation-sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1989-08-30 — — EP disclosed
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