SCHEMBL19980993

SCHEMBL19980993

C=C(C)C(=O)OCCc1cccc(N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.45
MAOA P21397 2/20 0.45
CYP19A1 P11511 1/20 0.44
THRB P10828 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 2/20 0.39
CYP3A4 P08684 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39

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
SCHEMBL8041635 0.89 TSHR (0.48) MAOBMAOACYP19A1THRBTSHR
SCHEMBL16693247 0.87 YWHAG (0.40) MAOBMAOACYP19A1THRBTSHR
SCHEMBL27551658 0.85 LOXL2 (0.44) THRBNPC1RAB9ATSHRTDP1
SCHEMBL9817767 0.85 ALDH1A1 (0.42) MAOBMAOACYP19A1THRBRAB9A
SCHEMBL4690527 0.84 MAOA (0.50) MAOBMAOACYP19A1THRBNPC1
SCHEMBL1119153 0.84 TYR (0.56) THRBTYRCA12CA1CA4
SCHEMBL31744941 0.84 TYR (0.56) THRBTYRCA12CA1CA4
SCHEMBL150133 0.84 ALOX5 (0.49) MAOBTHRBTDP1POLBAPEX1
SCHEMBL29734636 0.84 ALOX5 (0.49) MAOBTHRBTDP1POLBAPEX1
SCHEMBL28186333 0.84 APP (0.46) THRBNPC1RAB9ATSHRTDP1

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-2601268-B1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2018-03-21 EP disclosed