SCHEMBL7702833

SCHEMBL7702833

Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.O=S(=O)([O-])C(F)(F)C(F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 1/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA5A P35218 2/20 0.34
CA9 Q16790 2/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
GAA P10253 2/20 0.33
KCNH2 Q12809 1/20 0.32
FFAR1 O14842 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CDK7 P50613 1/20 0.32
CCNH P51946 1/20 0.32
CCNA1 P78396 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
GPR3 P46089 1/20 0.32

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
SCHEMBL7702718 0.94 GPR3 (0.35) AGERCA1CA2CA5ACA9
SCHEMBL7708749 0.94 GPR3 (0.35) AGERCA1CA2CA5ACA9
SCHEMBL7708768 0.89 AGER (0.35) AGERCA1CA2CA5ACA9
SCHEMBL7708812 0.86 ALDH1A1 (0.34) CA1CA2CA5ACA9KCNH2
SCHEMBL7711459 0.85 LMNA (0.44) LMNAHPGDHTTALDH1A1ACHE
SCHEMBL7708183 0.85 ALDH1A1 (0.38) CA1CA2CA9LMNAHPGD
SCHEMBL7708622 0.84 ESR1 (0.35) CA1CA2CA9LMNAKCNH2
SCHEMBL7708207 0.84 GPR3 (0.34) CA1CA2CA5ACA9LMNA
Trifluoromethanesulfonic Acid SCHEMBL36224 0.81 GPR3 (0.44) AGERCA1CA2CA5ACA9
Toliodium SCHEMBL7708774 0.81 AGER (0.36) AGERCA1CA2CA5ACA9

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-6358665-B1 ONIUM SALT PRECURSOR FOR GENERATING FLUOROALKYLSULFONATE CLARIANT INTERNATIONAL LTD. (CH) 2002-03-19 US disclosed
EP-1033624-A1 RADIATION-SENSITIVE COMPOSITION OF CHEMICAL AMPLIFICATION TYPE Clariant International Ltd. (CH) 2000-09-06 EP disclosed