SCHEMBL9309750

SCHEMBL9309750

CC(C)(C)c1ccc(S(=O)(=O)Oc2ccc(C(c3ccc(OS(=O)(=O)c4ccc(C(C)(C)C)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
MEN1 O00255 1/20 0.58
MAPT P10636 1/20 0.58
RECQL P46063 1/20 0.58
KMT2A Q03164 1/20 0.58
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
ENPP1 P22413 9/20 0.51
ENPP3 O14638 9/20 0.51
ENPP2 Q13822 5/20 0.49
HSD11B1 P28845 2/20 0.49
HSD17B3 P37058 1/20 0.49
KDM4E B2RXH2 1/20 0.47
KDM4A O75164 1/20 0.47
APEX1 P27695 1/20 0.46
RORA P35398 1/20 0.40

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
SCHEMBL3843869 0.88 ENPP1 (0.47) ALDH1A1MEN1MAPTRECQLKMT2A
SCHEMBL9575360 0.84 CA1 (0.43) ALDH1A1MEN1MAPTRECQLKMT2A
SCHEMBL3839185 0.84 TDP1 (0.57) ALDH1A1MEN1MAPTRECQLKMT2A
SCHEMBL9310139 0.83 ALDH1A1 (0.64) ALDH1A1MEN1MAPTRECQLKMT2A
SCHEMBL2990067 0.82 MEN1 (0.62) ALDH1A1MEN1MAPTRECQLKMT2A
Hydrogen Sulfide SCHEMBL15618664 0.81 MEN1 (0.61) ALDH1A1MEN1MAPTRECQLKMT2A
Iodide SCHEMBL29092642 0.81 MEN1 (0.61) ALDH1A1MEN1MAPTRECQLKMT2A
SCHEMBL8067321 0.81 ALDH1A1 (0.65) ALDH1A1MEN1MAPTRECQLKMT2A
SCHEMBL5150156 0.81 ALDH1A1 (0.65) ALDH1A1MEN1MAPTRECQLKMT2A
SCHEMBL2986520 0.80 TDP1 (0.61) ALDH1A1MEN1MAPTRECQLKMT2A

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-5340489-A Reducing the friction between two metal moving surfaces at high temperature THE DOW CHEMICAL COMPANY (US) 1994-08-23 US disclosed
US-5204011-A Lubricants containing aryl arenesulfonates as lubricity additives THE DOW CHEMICAL COMPANY (US) 1993-04-20 US disclosed