SCHEMBL1123096

SCHEMBL1123096

CCOc1ccccc1COc1ccc(C(=O)Nc2ccccc2OCc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.60
NPC1 O15118 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
SENP7 Q9BQF6 2/20 0.60
CASP3 P42574 1/20 0.60
TAAR1 Q96RJ0 1/20 0.60
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
BRD4 O60885 1/20 0.54
P4HTM Q9NXG6 1/20 0.54
SENP8 Q96LD8 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
ALDH1A1 P00352 2/20 0.53
GAA P10253 1/20 0.53
HDAC3 O15379 1/20 0.52
NCOR2 Q9Y618 1/20 0.52

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
SCHEMBL1123501 0.90 L3MBTL1 (0.63) RAB9ANPC1SMN1; SMN2SENP7CASP3
SCHEMBL1122992 0.88 SMN1; SMN2 (0.61) RAB9ANPC1SMN1; SMN2SENP7CASP3
SCHEMBL1123139 0.86 NPC1 (0.74) RAB9ANPC1SMN1; SMN2SENP7CASP3
SCHEMBL1123414 0.86 SMN1; SMN2 (0.61) RAB9ANPC1SMN1; SMN2SENP7CASP3
SCHEMBL1123323 0.84 PLK1 (0.64) RAB9ANPC1SMN1; SMN2SENP7CASP3
SCHEMBL1123220 0.83 NPC1 (0.60) RAB9ANPC1SMN1; SMN2SENP7CASP3
SCHEMBL1123204 0.83 SENP7 (0.65) RAB9ANPC1SMN1; SMN2SENP7CASP3
SCHEMBL1123418 0.81 NR1H4 (0.65) RAB9ANPC1SMN1; SMN2SENP7CASP3
SCHEMBL38660185 0.81 BRD4 (0.70) RAB9ANPC1SMN1; SMN2SENP7CASP3
SCHEMBL11549645 0.81 BRD4 (0.70) RAB9ANPC1SMN1; SMN2SENP7CASP3

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-1644321-B1 NEW BENZAMIDES AS PPATY MODULATORS S A L V A T LAB SA (ES) 2011-02-09 EP claimed