SCHEMBL8662091

SCHEMBL8662091

C=C(C(=O)OCC)c1ccc(Cl)nc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.60
RAB9A P51151 5/20 0.56
MAPT P10636 4/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
PKM P14618 2/20 0.50
POLB P06746 2/20 0.50
NAPRT Q6XQN6 1/20 0.49
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL8663801 0.86 HDAC1 (0.49) DGAT1RAB9AMAPTL3MBTL1POLB
SCHEMBL18053917 0.83 NAPRT (0.53) DGAT1RAB9AMAPTL3MBTL1PKM
SCHEMBL71884 0.81 DGAT1 (0.68) DGAT1RAB9AMAPTL3MBTL1PKM
SCHEMBL29723823 0.81 DGAT1 (0.68) DGAT1RAB9AMAPTL3MBTL1PKM
SCHEMBL5059081 0.80 MAPT (0.55) RAB9AMAPTGAACYP1A2CYP3A4
SCHEMBL7079697 0.79 SMN1; SMN2 (0.53) MAPTPOLBGAACYP1A2CYP3A4
SCHEMBL20259607 0.78 NPSR1 (0.43) DGAT1RAB9AMAPTPOLBKDM4E
SCHEMBL28774614 0.77 NAPRT (0.62) DGAT1RAB9AMAPTL3MBTL1PKM
SCHEMBL30154431 0.76 DGAT1 (0.54) DGAT1RAB9AMAPTL3MBTL1PKM
SCHEMBL30195936 0.76 DGAT1 (0.54) DGAT1RAB9AMAPTL3MBTL1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763461-A ANTIPICORNAVIRAL AGENTS SANOFI (FR) 1998-06-09 US disclosed
US-5618821-A VIRICIDES, PICORNAVIRUS SANOFI, S.A. (FR) 1997-04-08 US disclosed
WO-1995031438-A1 THERAPEUTIC PHENOXYALKYLHETEROCYCLES SANOFI WINTHROP, INC. (US) 1995-11-23 WO disclosed