SCHEMBL2436030

SCHEMBL2436030

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
HSD11B1 P28845 2/20 0.41
MAOA P21397 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PLA2G1B P04054 1/20 0.38
NFKB1 P19838 1/20 0.38
CASP3 P42574 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
HSD17B3 P37058 1/20 0.37
UQCRB P14927 1/20 0.37

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
SCHEMBL2442275 0.93 ALDH1A1 (0.46) ALDH1A1HSD11B1GAATDP1MAPT
SCHEMBL2441405 0.90 ALDH1A1 (0.37) ALDH1A1HSD11B1MAOAGAATDP1
SCHEMBL7578509 0.88 ALDH1A1 (0.44) ALDH1A1HSD11B1MAOATDP1MAPT
SCHEMBL2437121 0.86 CA12 (0.33) ALDH1A1TDP1MAPTKDM4ECA2
SCHEMBL451538 0.85 ALDH1A1 (0.46) ALDH1A1HSD11B1MAOAGAAMAPT
SCHEMBL7578150 0.85 ALDH1A1 (0.42) ALDH1A1HSD11B1MAOAMAPTNPC1
SCHEMBL30441277 0.84 ALDH1A1 (0.41) ALDH1A1HSD11B1MAOATDP1MAPT
SCHEMBL2435974 0.84 ALDH1A1 (0.41) ALDH1A1HSD11B1MAOAMAPTNPC1
SCHEMBL2436033 0.84 ALDH1A1 (0.41) ALDH1A1HSD11B1MAOAMAPTNPC1
Trifluoromethanesulfonic Acid SCHEMBL3136704 0.84 HSD11B1 (0.41) ALDH1A1HSD11B1MAOAMAPTNPC1

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