SCHEMBL8993860

SCHEMBL8993860

CN(O)C(=O)/C=C/c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.67
PTGS1 P23219 1/20 0.67
PTGS2 P35354 1/20 0.67
NPC1 O15118 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
TRPM8 Q7Z2W7 2/20 0.61
GLA P06280 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
MAPT P10636 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HDAC3 O15379 1/20 0.57
TNKS O95271 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HCAR2 Q8TDS4 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 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
SCHEMBL10457551 1.00 ALOX5 (0.67) ALOX5PTGS1PTGS2NPC1L3MBTL1
SCHEMBL9877155 0.89 HDAC2 (0.57) ALOX5PTGS1PTGS2NPC1L3MBTL1
N,N-Dimethylcinnamamide SCHEMBL783551 0.86 NPC1 (0.65) ALOX5PTGS1PTGS2NPC1L3MBTL1
N,N-Dimethylcinnamamide SCHEMBL3743395 0.86 NPC1 (0.65) ALOX5PTGS1PTGS2NPC1L3MBTL1
SCHEMBL10876301 0.85 ALOX5 (0.68) ALOX5PTGS1PTGS2NPC1L3MBTL1
SCHEMBL7373222 0.82 NPC1 (0.61) ALOX5PTGS1PTGS2NPC1L3MBTL1
SCHEMBL7373223 0.82 NPC1 (0.61) ALOX5PTGS1PTGS2NPC1L3MBTL1
SCHEMBL11775852 0.82 HDAC3 (0.61) ALOX5PTGS1PTGS2NPC1L3MBTL1
SCHEMBL22024170 0.82 NPC1 (0.61) ALOX5PTGS1PTGS2NPC1L3MBTL1
SCHEMBL9877335 0.82 TRPM8 (0.60) ALOX5PTGS1PTGS2TRPM8MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0607962-B1 Photosensitive resin composition JAPAN SYNTHETIC RUBBER CO LTD (JP) 1996-07-17 EP disclosed
EP-0607962-A1 Photosensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1994-07-27 EP disclosed