SCHEMBL2437602

SCHEMBL2437602

CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=S(=O)([O-])C(F)(C(F)(F)F)S(=O)(=O)O.O=S(=O)([O-])C(F)(C(F)(F)F)S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.40
RORA P35398 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HSD17B2 P37059 2/20 0.35
HSD17B3 P37058 1/20 0.35
UQCRB P14927 1/20 0.35
NPC1 O15118 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
NR1H3 Q13133 2/20 0.33
MAPT P10636 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33

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
SCHEMBL2437114 0.95 RORA (0.39) HSD11B1RORAALDH1A1HSD17B2HSD17B3
SCHEMBL2443803 0.89 PTPN1 (0.34) HSD11B1NR1H3
Trifluoromethanesulfonic Acid SCHEMBL51512 0.84 HSD11B1 (0.41) HSD11B1RORAALDH1A1HSD17B2HSD17B3
Trifluoromethanesulfonic Acid SCHEMBL3136704 0.84 HSD11B1 (0.41) HSD11B1RORAALDH1A1HSD17B2HSD17B3
SCHEMBL2437122 0.83 HSD11B1 (0.40) HSD11B1RORAALDH1A1HSD17B2HSD17B3
SCHEMBL1477345 0.83 ALDH1A1 (0.40) HSD11B1ALDH1A1HSD17B2HSD17B3UQCRB
SCHEMBL29745785 0.83 HSD11B1 (0.40) HSD11B1RORAALDH1A1HSD17B2HSD17B3
SCHEMBL2286473 0.83 ALDH1A1 (0.40) HSD11B1ALDH1A1HSD17B2HSD17B3UQCRB
SCHEMBL2435494 0.81 HSD11B1 (0.38) HSD11B1RORAALDH1A1HSD17B2HSD17B3
SCHEMBL2438820 0.81 HSD11B1 (0.38) HSD11B1RORAALDH1A1HSD17B2HSD17B3

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-2078028-B1 PHOTOACTIVE COMPOUNDS AZ ELECTRONIC MATERIALS USA (US) 2011-09-07 EP claimed