SCHEMBL8317774

SCHEMBL8317774

CCOC(C)Oc1cccc([S+](c2ccc(N(C)C)cc2)c2cccc(OC(C)OCC)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.34
ALDH1A1 P00352 6/20 0.34
RAB9A P51151 5/20 0.34
NPC1 O15118 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 2/20 0.34
KDM4E B2RXH2 2/20 0.33
TP53 P04637 1/20 0.33
MCL1 Q07820 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.32
MTNR1A P48039 3/20 0.31
MTNR1B P49286 3/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
TSHR P16473 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
SCHEMBL8317348 0.92 ALDH1A1 (0.32) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL8318530 0.88 LMNA (0.35) ALDH1A1SMN1; SMN2LMNAKDM4ETP53
SCHEMBL8644969 0.87 GRM2 (0.36) ALDH1A1
SCHEMBL8318905 0.86 ALDH1A1 (0.37) MAPTALDH1A1RAB9ALMNAMAPK1
SCHEMBL8320379 0.79 KAT6A (0.34) ALDH1A1SMN1; SMN2KDM4EMTNR1AMTNR1B
SCHEMBL6140960 0.76 CNR2 (0.36) ALDH1A1SMN1; SMN2LMNAMAPK1GAA
SCHEMBL6140491 0.76 CNR2 (0.36) ALDH1A1SMN1; SMN2LMNAMAPK1GAA
SCHEMBL8322763 0.75 LMNA (0.41) LMNAMTNR1AMTNR1B
SCHEMBL20885297 0.75 LMNA (0.44) ALDH1A1SMN1; SMN2LMNAMAPK1KDM4E
SCHEMBL6140704 0.74 MAPT (0.37) MAPTALDH1A1RAB9ALMNAMAPK1

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