SCHEMBL8325663

SCHEMBL8325663

CN(C)c1ccc([S+](c2ccc(OC3CCCO3)cc2)c2ccc(OC3CCCO3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 1/20 0.37
TP53 P04637 3/20 0.36
MAPT P10636 3/20 0.36
APP P05067 1/20 0.34
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
SLC18A3 Q16572 1/20 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
SCHEMBL8327555 0.96 DDB1 (0.36) GAADDB1CRBNSMN1; SMN2NPC1
SCHEMBL8322269 0.92 GAA (0.36) GAADDB1CRBNSMN1; SMN2NPC1
SCHEMBL8319100 0.88 TNK2 (0.36) SMN1; SMN2NPC1KMT2AHPGDALDH1A1
SCHEMBL8322119 0.88 DDB1 (0.34) GAADDB1CRBNSMN1; SMN2NPC1
SCHEMBL8322550 0.87 GAA (0.37) GAASMN1; SMN2NPC1KMT2AHPGD
SCHEMBL6140612 0.87 HPGD (0.37) GAASMN1; SMN2NPC1KMT2AHPGD
SCHEMBL8649996 0.85 GAA (0.35) GAADDB1CRBNSMN1; SMN2NPC1
SCHEMBL8323376 0.84 TNK2 (0.40) SMN1; SMN2NPC1KMT2AALDH1A1RAB9A
SCHEMBL8663699 0.83 ALDH1A1 (0.34) GAADDB1CRBNSMN1; SMN2KMT2A
SCHEMBL6140565 0.83 ALDH1A1 (0.34) GAADDB1CRBNSMN1; SMN2KMT2A

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