SCHEMBL3372808

SCHEMBL3372808

CSc1cc(C)c(SC)cc1C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TAS1R3 Q7RTX0 3/20 0.34
TAS1R1 Q7RTX1 3/20 0.34
TP53 P04637 2/20 0.31
ALOX15 P16050 2/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL735440 0.94 CYP3A4 (0.36) ALDH1A1CYP3A4TSHRHSD17B10TAS1R3
SCHEMBL19919532 0.86 CYP3A4 (0.33) ALDH1A1CYP3A4TSHRHSD17B10TAS1R3
SCHEMBL11449363 0.84 ALOX15 (0.50) ALDH1A1CYP3A4TSHRHSD17B10TAS1R3
SCHEMBL17209118 0.84 ALDH1A1 (0.32) ALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL18435416 0.84 RAB9A (0.39) ALDH1A1CYP3A4TSHRHSD17B10SMN1; SMN2
SCHEMBL24423318 0.80 TAS1R3 (0.34) ALDH1A1CYP3A4TSHRHSD17B10TAS1R3
SCHEMBL20350282 0.80 TAAR1 (0.42) ALDH1A1CYP3A4TSHRHSD17B10ALOX15
SCHEMBL19389807 0.80 ALDH1A1 (0.32) ALDH1A1CYP3A4TSHRHSD17B10TAS1R3
SCHEMBL3370940 0.78 TAS1R3 (0.30) TAS1R3TAS1R1
SCHEMBL15780495 0.76 CYP2A6 (0.41) ALDH1A1CYP3A4TSHRHSD17B10SMN1; SMN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2236488-A1 Materials, methods and uses for photochemical generation of acids and/or radical species The Arizona Board of Regents on behalf of the University of Arizona (US) 2010-10-06 EP disclosed
US-7459106-B2 Materials, methods, and uses for photochemical generation of acids and/or radical species THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2008-12-02 US disclosed
EP-1390664-A4 MATERIALS, METHODS, AND USES FOR PHOTOCHEMICAL GENERATION OF ACIDS AND/OR RADICAL SPECIES UNIV ARIZONA (US) 2008-01-02 EP disclosed
US-20050173683-A1 Materials, methods, and uses for photochemical generation of acids and/or radical species THE ARIZ BD OF REGENTS ON BEHALF OF THE UNIV OF AZ (US) 2005-08-11 US disclosed
EP-1390664-A1 MATERIALS, METHODS, AND USES FOR PHOTOCHEMICAL GENERATION OF ACIDS AND/OR RADICAL SPECIES The Arizona Board of Regents (US) 2004-02-25 EP disclosed
WO-2002079691-A1 MATERIALS, METHODS, AND USES FOR PHOTOCHEMICAL GENERATION OF ACIDS AND/OR RADICAL SPECIES THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2002-10-10 WO disclosed
US-6207838-B1 ELECTROLYSIS IN LIQUID SULFUR DIOXIDE THE UNIVERSITY OF ARIZONA 2001-03-27 US disclosed
EP-1048752-A2 Electrochemically generated organothiating reagents and their use ALBEMARLE CORPORATION (US) 2000-11-02 EP disclosed