SCHEMBL17845874

SCHEMBL17845874

CCOC(=O)CN(CC(=O)OCC)c1ccccc1C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 1/20 0.45
USP2 O75604 1/20 0.42
LTA4H P09960 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
S1PR4 O95977 1/20 0.41
ITGA4 P13612 1/20 0.41
HPGD P15428 1/20 0.41
S1PR1 P21453 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TLR9 Q9NR96 1/20 0.41
PPARG P37231 1/20 0.41
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
MEN1 O00255 2/20 0.41

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
SCHEMBL18055614 0.85 TDP1 (0.53) ALDH1A1TDP1LTA4HSMN1; SMN2MAPT
SCHEMBL14198657 0.77 MTNR1A (0.46) TDP1NPC1HPGDRAB9ANPSR1
SCHEMBL7183179 0.77 CTDSP1 (0.41) ALDH1A1TDP1USP2SMN1; SMN2MAPT
SCHEMBL5465593 0.77 TDP1 (0.56) ALDH1A1TDP1MAPTLMNANPC1
SCHEMBL29354732 0.76 KMT2A (0.50) ALDH1A1TDP1SMN1; SMN2MAPTLMNA
SCHEMBL465195 0.76 KMT2A (0.50) ALDH1A1TDP1SMN1; SMN2MAPTLMNA
SCHEMBL29535405 0.76 TDP1 (0.74) ALDH1A1TDP1USP2LTA4HSMN1; SMN2
SCHEMBL6905893 0.76 CA1 (0.44) ALDH1A1LTA4HSMN1; SMN2MAPTCYP4F2
SCHEMBL1027289 0.76 SMN1; SMN2 (0.45) ALDH1A1TDP1SMN1; SMN2LMNACYP4F2
SCHEMBL29955172 0.76 TDP1 (0.41) ALDH1A1TDP1SMN1; SMN2LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362349-A1 PHOTOPOLYMER COMPRISING A NEW CLASS OF PHOTO INITATOR COVESTRO DEUTSCHLAND AG (DE) 2017-12-21 US disclosed
EP-3234021-A1 PHOTOPOLYMER COMPRISING A NEW CLASS OF PHOTO INITIATOR Covestro Deutschland AG (DE) 2017-10-25 EP disclosed
WO-2016096639-A1 PHOTOPOLYMER COMPRISING A NEW CLASS OF PHOTO INITIATOR COVESTRO DEUTSCHLAND AG (DE) 2016-06-23 WO disclosed