SCHEMBL8938895

SCHEMBL8938895

CCCCCCOC(=O)Nc1cccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
EPHX1 P07099 1/20 0.49
RAB9A P51151 8/20 0.48
SMN1; SMN2 Q16637 7/20 0.48
NPC1 O15118 7/20 0.48
MEN1 O00255 3/20 0.48
GAA P10253 3/20 0.48
KMT2A Q03164 3/20 0.48
TP53 P04637 2/20 0.48
MAPT P10636 2/20 0.48
USP2 O75604 1/20 0.48
POLB P06746 1/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 3/20 0.48
ALDH1A1 P00352 3/20 0.48
TSHR P16473 2/20 0.48
CSNK2A2 P19784 1/20 0.46
CSNK2A1 P68400 1/20 0.46

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
SCHEMBL7102449 0.94 L3MBTL1 (0.56) L3MBTL1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL27304987 0.88 HDAC3 (0.54) L3MBTL1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL1258833 0.82 GAA (0.55) L3MBTL1RAB9ASMN1; SMN2NPC1MEN1
Alcohol SCHEMBL10947326 0.79 GAA (0.52) L3MBTL1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL9692758 0.79 MEN1 (0.44) RAB9ASMN1; SMN2NPC1MEN1GAA
SCHEMBL6237186 0.78 CETP (0.51) RAB9ASMN1; SMN2NPC1MEN1GAA
SCHEMBL27641757 0.77 KMT2A (0.45) L3MBTL1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL12411578 0.77 RAB9A (0.69) L3MBTL1EPHX1RAB9ASMN1; SMN2NPC1
SCHEMBL8076542 0.76 RAB9A (0.65) L3MBTL1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL1837292 0.76 RAB9A (0.65) L3MBTL1RAB9ASMN1; SMN2NPC1MAPT

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
US-5565602-A REACTING A HYDROCARBYL CHLORIDE WITH A CARBONYL SULFIDE AND AMINE IN PRESENCE OF A BASIC CATALYST PHILLIPS PETROLEUM COMPANY (US) 1996-10-15 US claimed
US-5565602-A REACTING A HYDROCARBYL CHLORIDE WITH A CARBONYL SULFIDE AND AMINE IN PRESENCE OF A BASIC CATALYST PHILLIPS PETROLEUM COMPANY (US) 1996-10-15 US disclosed