SCHEMBL14543787

SCHEMBL14543787

Cc1cccc2c(C(C)(C)C)c(S(=O)(=O)O)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.43
▸ CYP2A6 P11509 2/20 0.43
▸ AURKA O14965 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ TTR P02766 1/20 0.39
▸ SUMO2 P61956 2/20 0.38
▸ SUMO1 P63165 2/20 0.38
▸ SENP7 Q9BQF6 2/20 0.38
▸ SENP2 Q9HC62 2/20 0.38
▸ SENP3 Q9H4L4 1/20 0.38
▸ SENP1 Q9P0U3 1/20 0.38
▸ COMT P21964 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ TRPA1 O75762 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL10786218 0.81 CYP1A2 (0.48) CYP1A2CYP2A6AURKAAURKBTTR
SCHEMBL18936308 0.81 CYP1A2 (0.48) CYP1A2CYP2A6AURKAAURKBTTR
SCHEMBL30218704 0.81 CYP1A2 (0.48) CYP1A2CYP2A6AURKAAURKBTTR
SCHEMBL24782645 0.79 CYP1A2 (0.50) CYP1A2CYP2A6ESR1KMT2AESR2
SCHEMBL4510654 0.78 TTR (0.60) CYP1A2CYP2A6AURKAAURKBTTR
SCHEMBL12482267 0.76 GABRA1 (0.39) CYP1A2CYP2A6TTRSUMO2SUMO1
SCHEMBL12482672 0.76 CTRB1 (0.48) CYP1A2CYP2A6AURKAAURKBCOMT
SCHEMBL11515474 0.75 CTRB1 (0.47) CYP1A2AURKAAURKBCOMTALDH1A1
Methane SCHEMBL11518034 0.75 CTRB1 (0.47) CYP1A2AURKAAURKBCOMTMEN1
SCHEMBL2662857 0.74 CYP1A2 (0.54) CYP1A2CYP2A6AURKAAURKBTTR

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-7205090-B2 Chemical amplification type positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-04-17 — — US disclosed
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