SCHEMBL10693261

SCHEMBL10693261

CCc1ccccc1NC(=O)COc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.66
RAB9A P51151 4/20 0.66
TSHR P16473 3/20 0.65
MAPK10 P53779 2/20 0.65
ALDH1A1 P00352 2/20 0.65
HSD17B10 Q99714 1/20 0.65
MAPT P10636 4/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
KMT2A Q03164 2/20 0.59
KDM4E B2RXH2 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
HCAR2 Q8TDS4 1/20 0.58
GAA P10253 2/20 0.57
USP2 O75604 1/20 0.57
MEN1 O00255 1/20 0.57
PKM P14618 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57

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
SCHEMBL2554326 0.86 ALDH1A1 (0.70) NPC1RAB9ATSHRMAPK10ALDH1A1
SCHEMBL2557966 0.83 MAPT (0.60) NPC1RAB9AMAPK10ALDH1A1MAPT
SCHEMBL14818749 0.82 TSHR (0.68) TSHRALDH1A1HSD17B10MAPTKMT2A
SCHEMBL11359123 0.81 POLB (0.56) RAB9ATSHRALDH1A1HSD17B10MAPT
SCHEMBL9400497 0.81 RAB9A (0.78) NPC1RAB9ATSHRMAPK10ALDH1A1
SCHEMBL9312836 0.79 HDAC3 (0.67) ALDH1A1MAPTKMT2AGAAMEN1
SCHEMBL10694565 0.79 SMN1; SMN2 (0.69) NPC1RAB9ATSHRALDH1A1HSD17B10
SCHEMBL6032429 0.79 HCAR2 (0.81) NPC1RAB9ATSHRMAPK10ALDH1A1
SCHEMBL14076129 0.79 NPC1 (0.58) NPC1RAB9ATSHRMAPK10ALDH1A1
SCHEMBL10693582 0.79 TDP1 (0.61) RAB9AALDH1A1MAPTL3MBTL1KMT2A

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-0098743-B1 PHENYL ALPHA-ACYLOXYACETAMIDE DERIVATES AND THEIR THERAPEUTIC USE Yu, Ruey J., Dr. (US) 1988-09-28 EP claimed