SCHEMBL3697633

SCHEMBL3697633

CC1(C)OB(c2ccc(NC(=O)Nc3cccc(F)c3)nc2)OC1(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.64
NPC1 O15118 7/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
LMNA P02545 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.52
TP53 P04637 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
TAAR1 Q96RJ0 1/20 0.51
GBA1 P04062 1/20 0.51
PDGFRB P09619 6/20 0.51
KDR P35968 6/20 0.51
TEK Q02763 1/20 0.51
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
POLB P06746 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
SCHEMBL59458 0.86 KMT2A (0.66) RAB9ANPC1L3MBTL1LMNAPDGFRB
SCHEMBL424231 0.86 RAB9A (0.55) RAB9ANPC1L3MBTL1LMNACYP1A2
SCHEMBL3665719 0.86 PDGFRB (0.62) RAB9ANPC1L3MBTL1SMN1; SMN2TP53
SCHEMBL59554 0.83 KDR (0.49) RAB9ANPC1L3MBTL1SMN1; SMN2PDGFRB
SCHEMBL57876 0.81 KDR (0.52) PDGFRBKDRKMT2AMEN1
SCHEMBL3666256 0.80 SMN1; SMN2 (0.59) RAB9ANPC1L3MBTL1LMNASMN1; SMN2
SCHEMBL14872842 0.78 DGAT1 (0.48) L3MBTL1PDGFRBKDR
SCHEMBL64906 0.78 KDR (0.64) RAB9ANPC1PDGFRBKDRTEK
SCHEMBL59353 0.78 EPHX2 (0.44) L3MBTL1SMN1; SMN2PDGFRBKDRKMT2A
SCHEMBL29216909 0.77 MEN1 (0.49) RAB9ANPC1L3MBTL1LMNACYP1A2

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
EP-2452937-A1 Inhibitors of diacylglycerol o-acyltransferase type 1 enzyme Abbott Laboratories (US) 2012-05-16 EP disclosed