SCHEMBL2437122

SCHEMBL2437122

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.40
ALDH1A1 P00352 5/20 0.40
HSD17B3 P37058 1/20 0.36
UQCRB P14927 1/20 0.36
HSD17B2 P37059 1/20 0.36
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
PTPN1 P18031 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MAOA P21397 1/20 0.35
RORA P35398 1/20 0.35
MAPT P10636 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
NR3C2 P08235 1/20 0.34
ACHE P22303 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
SCHEMBL2434949 0.94 ALDH1A1 (0.44) HSD11B1ALDH1A1UQCRBNPC1RAB9A
Trifluoromethanesulfonic Acid SCHEMBL3136704 0.92 HSD11B1 (0.41) HSD11B1ALDH1A1HSD17B3UQCRBHSD17B2
Trifluoromethanesulfonic Acid SCHEMBL51512 0.92 HSD11B1 (0.41) HSD11B1ALDH1A1HSD17B3UQCRBHSD17B2
SCHEMBL29745785 0.91 HSD11B1 (0.40) HSD11B1ALDH1A1HSD17B3UQCRBHSD17B2
SCHEMBL2437032 0.90 HSD11B1 (0.35) HSD11B1ALDH1A1HSD17B3UQCRBHSD17B2
SCHEMBL2435494 0.88 HSD11B1 (0.38) HSD11B1ALDH1A1HSD17B3UQCRBHSD17B2
SCHEMBL2438820 0.88 HSD11B1 (0.38) HSD11B1ALDH1A1HSD17B3UQCRBHSD17B2
SCHEMBL7578509 0.87 ALDH1A1 (0.44) HSD11B1ALDH1A1HSD17B3UQCRBHSD17B2
SCHEMBL2437867 0.87 GPR3 (0.40) HSD11B1ALDH1A1PTPN1CA1CA2
Trifluoromethanesulfonic Acid SCHEMBL36543 0.85 ALDH1A1 (0.46) HSD11B1ALDH1A1HSD17B3UQCRBHSD17B2

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
EP-2078028-B1 PHOTOACTIVE COMPOUNDS AZ ELECTRONIC MATERIALS USA (US) 2011-09-07 EP claimed
EP-2384457-B1 COATING COMPOSITIONS MERCK PATENT GMBH (DE) 2022-07-06 EP disclosed