SCHEMBL8323353

SCHEMBL8323353

CN(C)c1ccc([S+](c2ccc(OC(C)(C)C)cc2)c2ccc(OC(C)(C)C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
TSHR P16473 4/20 0.41
HSD17B10 Q99714 3/20 0.41
ALOX15 P16050 2/20 0.41
SLC2A1 P11166 2/20 0.38
APP P05067 5/20 0.35
TDP1 Q9NUW8 3/20 0.34
TP53 P04637 3/20 0.34
MAPK1 P28482 3/20 0.34
CYP3A4 P08684 2/20 0.34
MAPT P10636 4/20 0.33
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ESR2 Q92731 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL248025 1.00 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10ALOX15SLC2A1
SCHEMBL5609606 1.00 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10ALOX15SLC2A1
SCHEMBL8593634 0.93 ALDH1A1 (0.37) ALDH1A1TSHRHSD17B10ALOX15SLC2A1
SCHEMBL8324853 0.89 ALDH1A1 (0.36) ALDH1A1TSHRHSD17B10ALOX15SLC2A1
SCHEMBL8318829 0.89 ALDH1A1 (0.36) ALDH1A1TSHRHSD17B10ALOX15SLC2A1
SCHEMBL245948 0.86 SLC6A2 (0.37) CYP3A4MAPTKDM4EMEN1KMT2A
Trifluoromethanesulfonic Acid SCHEMBL8494445 0.85 CA2 (0.34) ALDH1A1HSD17B10ALOX15SLC2A1TDP1
Trifluoromethanesulfonic Acid SCHEMBL8078870 0.85 HSP90AA1 (0.34) ALDH1A1TSHRHSD17B10ALOX15MAPT
Trifluoromethanesulfonic Acid SCHEMBL8069550 0.85 HSP90AA1 (0.34) ALDH1A1TSHRHSD17B10ALOX15MAPT
Hydrochloric Acid SCHEMBL8632732 0.84 SLC6A2 (0.36) CYP3A4MAPTKDM4EMEN1KMT2A

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-5880169-A HAVING HIGH RESOLUTION FOR FINE PATTERNING SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-03-09 US disclosed