SCHEMBL9003372

SCHEMBL9003372

C=CC[S+](c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
LMNA P02545 2/20 0.37
TYR P14679 1/20 0.37
BCHE P06276 8/20 0.36
ACHE P22303 8/20 0.36
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 1/20 0.32
KIF11 P52732 1/20 0.32
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
HIF1A Q16665 1/20 0.31
NPC1 O15118 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
SCHEMBL12411042 0.74 TSHR (0.44) TSHRLMNATYRBCHEACHE
SCHEMBL9003450 0.72 LMNA (0.36) LMNARAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL2326868 0.72 ALDH1A1 (0.36) TSHRALDH1A1HTT
SCHEMBL11876166 0.69 NQO1 (0.52) TSHRRAB9ASMN1; SMN2ALDH1A1TDP1
SCHEMBL8955799 0.68 ALDH1A1 (0.52) TSHRLMNATYRBCHEACHE
SCHEMBL59269 0.68 TSHR (0.52) TSHRLMNATYRBCHEACHE
SCHEMBL2323723 0.67 RAB9A (0.44) TSHRLMNARAB9ASMN1; SMN2TP53
SCHEMBL424728 0.66 TSHR (0.73) TSHRLMNATYRBCHEACHE
Bromide SCHEMBL482554 0.66 TSHR (0.50) TSHRLMNATYRBCHEACHE
Hydrochloric Acid SCHEMBL546503 0.66 TSHR (0.50) TSHRLMNATYRBCHEACHE

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
US-5500453-A INITIATOR FOR PHOTOSENSITIVE FREE RADICAL CURING/ POLYMERIZATION OF UNSATURATED COMPOUNDS TOYO INK MANUFACTURING CO., LTD. (JP) 1996-03-19 US disclosed