SCHEMBL6578366

SCHEMBL6578366

CN(C)C(CCC(=O)O)SCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.49
CPA3 P15088 1/20 0.46
KEAP1 Q14145 1/20 0.43
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KDM4A O75164 2/20 0.42
KDM4C Q9H3R0 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HDAC3 O15379 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
HDAC4 P56524 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41

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
SCHEMBL6576148 0.83 CYP2C19 (0.43) CYP2C19CPA3NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL8668132 0.82 CYP2C19 (0.42) CYP2C19CPA3MAPTKDM4AKDM4C
SCHEMBL27878944 0.80 CYP2C19 (0.51) CYP2C19CPA3KEAP1MAPTRXFP1
SCHEMBL6574182 0.75 SLC6A3 (0.45) NPC1RAB9ASMN1; SMN2SLC6A3PPARG
SCHEMBL21214617 0.73 CPA3 (0.57) CPA3KEAP1MAPTFFAR1NAALAD2
SCHEMBL6576409 0.73 MEN1 (0.55) CYP2C19MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL20395792 0.72 CYP2C19 (0.63) CYP2C19CPA3KEAP1MAPTRXFP1
SCHEMBL3713575 0.72 MAPT (0.47) CYP2C19CPA3KEAP1MAPTRXFP1
SCHEMBL22612314 0.71 MAPT (0.50) CYP2C19CPA3KEAP1MAPTRXFP1
SCHEMBL6577590 0.71 CYP2C19 (0.43) CYP2C19CPA3SMN1; SMN2PPARGPPARA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0870762-B1 NOVEL AMINO ACID DERIVATIVES HAVING N,N-DIALKYLAMINOPHENYL GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2004-04-28 EP disclosed
EP-0870762-A1 NOVEL AMINO ACID DERIVATIVES HAVING N,N-DIALKYLAMINOPHENYL GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed