SCHEMBL2286473

SCHEMBL2286473

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
HSD11B1 P28845 4/20 0.40
HSD17B2 P37059 3/20 0.39
RAB9A P51151 2/20 0.39
HSD17B3 P37058 1/20 0.39
UQCRB P14927 1/20 0.39
NPC1 O15118 1/20 0.39
RECQL P46063 1/20 0.39
MAPT P10636 3/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PSD A5PKW4 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MAOA P21397 1/20 0.35

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
SCHEMBL1477345 1.00 ALDH1A1 (0.40) ALDH1A1HSD11B1HSD17B2RAB9AHSD17B3
SCHEMBL7578509 0.87 ALDH1A1 (0.44) ALDH1A1HSD11B1HSD17B2RAB9AHSD17B3
Trifluoromethanesulfonic Acid SCHEMBL3136704 0.86 HSD11B1 (0.41) ALDH1A1HSD11B1HSD17B2RAB9AHSD17B3
Trifluoromethanesulfonic Acid SCHEMBL51512 0.86 HSD11B1 (0.41) ALDH1A1HSD11B1HSD17B2RAB9AHSD17B3
SCHEMBL2799713 0.85 TSHR (0.38) ALDH1A1HSD11B1HSD17B2RAB9AHSD17B3
SCHEMBL2435600 0.85 TSHR (0.39) ALDH1A1TDP1KMT2ACA1CA2
SCHEMBL2679092 0.85 TSHR (0.39) ALDH1A1TDP1KMT2ACA1CA2
SCHEMBL29745785 0.84 HSD11B1 (0.40) ALDH1A1HSD11B1HSD17B2RAB9AHSD17B3
SCHEMBL2437122 0.84 HSD11B1 (0.40) ALDH1A1HSD11B1HSD17B2RAB9AHSD17B3
SCHEMBL451538 0.84 ALDH1A1 (0.46) ALDH1A1HSD11B1HSD17B2RAB9AHSD17B3

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-7999354-B2 Resin composition, filling material, insulating layer and semiconductor device SUMITOMO BAKELITE COMPANY, LTD. (JP) 2011-08-16 US disclosed
US-20100181684-A1 RESIN COMPOSITION, FILLING MATERIAL, INSULATING LAYER AND SEMICONDUCTOR DEVICE SUMITOMO BAKELITE COMPANY LIMITED (JP) 2010-07-22 US disclosed