SCHEMBL8325993

SCHEMBL8325993

CN(C)c1cccc([S+](c2cccc(OC3CCCCO3)c2)c2cccc(OC3CCCCO3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.41
HSD11B1 P28845 1/20 0.38
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GFER P55789 1/20 0.35
KDM4C Q9H3R0 1/20 0.32
GAA P10253 1/20 0.32
KIF11 P52732 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
FFAR1 O14842 1/20 0.30
HTT P42858 1/20 0.30
HCRTR2 O43614 1/20 0.30

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
SCHEMBL8321729 0.89 DHFR (0.47) DHFRHSD11B1NPC1RAB9AKDM4C
SCHEMBL8322550 0.88 GAA (0.37) DHFRHSD11B1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8322230 0.85 DHFR (0.36) DHFRHSD11B1ALDH1A1POLBKDM4C
SCHEMBL8324624 0.85 DHFR (0.43) DHFRHSD11B1SMN1; SMN2ALDH1A1TP53
SCHEMBL8321358 0.82 GAA (0.35) DHFRHSD11B1KDM4ESMN1; SMN2HSD17B10
SCHEMBL6140343 0.81 HSD11B1 (0.33) DHFRHSD11B1KDM4ESMN1; SMN2HSD17B10
SCHEMBL8649667 0.80 DHFR (0.35) DHFRHSD11B1ALDH1A1POLBTSHR
SCHEMBL8319157 0.79 DHFR (0.39) DHFRHSD11B1ALDH1A1NPC1RAB9A
SCHEMBL8327555 0.79 DDB1 (0.36) DHFRHSD11B1SMN1; SMN2TP53NPC1
SCHEMBL6140379 0.78 ALDH1A1 (0.33) HSD11B1KDM4ESMN1; SMN2HSD17B10ALDH1A1

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