SCHEMBL9823523

SCHEMBL9823523

CCC(=O)Oc1ccc(NC(C)=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.70
MEN1 O00255 3/20 0.70
OPRK1 P41145 1/20 0.69
SMN1; SMN2 Q16637 5/20 0.64
HSD17B10 Q99714 2/20 0.64
LMNA P02545 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
CYP1A2 P05177 1/20 0.64
NPSR1 Q6W5P4 1/20 0.60
MAPT P10636 3/20 0.58
ESR1 P03372 2/20 0.56
HIF1A Q16665 2/20 0.56
RECQL P46063 1/20 0.56
RAB9A P51151 2/20 0.56
HTT P42858 2/20 0.56
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 2/20 0.56
ESR2 Q92731 1/20 0.55
HPGD P15428 1/20 0.53
L3MBTL1 Q9Y468 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
SCHEMBL12291744 0.89 KMT2A (0.75) KMT2AMEN1OPRK1SMN1; SMN2HSD17B10
SCHEMBL27476119 0.86 OPRK1 (0.66) KMT2AMEN1OPRK1SMN1; SMN2HSD17B10
Acetaminophen SCHEMBL28082151 0.86 MAPT (0.61) KMT2AMEN1OPRK1SMN1; SMN2HSD17B10
SCHEMBL10713248 0.86 RAB9A (0.63) KMT2AMEN1OPRK1SMN1; SMN2LMNA
SCHEMBL1930736 0.86 KMT2A (0.70) KMT2AMEN1OPRK1SMN1; SMN2HSD17B10
SCHEMBL668622 0.84 KMT2A (0.68) KMT2AMEN1OPRK1SMN1; SMN2HSD17B10
SCHEMBL12987121 0.84 KMT2A (0.68) KMT2AMEN1OPRK1SMN1; SMN2HSD17B10
SCHEMBL12291743 0.84 KMT2A (0.68) KMT2AMEN1OPRK1SMN1; SMN2HSD17B10
SCHEMBL3805817 0.84 KMT2A (0.68) KMT2AMEN1OPRK1SMN1; SMN2HSD17B10
SCHEMBL10329430 0.83 OPRK1 (0.62) KMT2AMEN1OPRK1SMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023226965-A1 ROCK INHIBITORS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2023-11-30 WO disclosed
CN-101318886-B Process for synthesizing o-hydroxyl-phenyl-alkyl ketone UNIV ZHEJIANG SCIENCE & TECH 2011-05-04 CN disclosed
CN-101318886-A Process for synthesizing o-hydroxyl-phenyl-alkyl ketone UNIV ZHEJIANG SCIENCE & TECH (CN) 2008-12-10 CN disclosed
US-7442826-B2 Process for the preparation of nitrooxyderivatives of paracetamol NICOX S.A. (FR) 2008-10-28 US disclosed
EP-0220746-B1 SILVER HALIDE PHOTOGRAPHIC MATERIALS FUJI PHOTO FILM CO., LTD. (JP) 1991-12-27 EP disclosed
US-4783396-A Silver halide photographic materials FUJI PHOTO FILM CO., LTD. (JP) 1988-11-08 US disclosed
EP-0220746-A2 Silver halide photographic materials FUJI PHOTO FILM CO., LTD. (JP) 1987-05-06 EP disclosed