SCHEMBL7065732

SCHEMBL7065732

COc1ccc(C(C)N2CCC2C(=O)OC(C)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
OPRL1 P41146 1/20 0.46
MAPKAPK2 P49137 1/20 0.45
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MITF O75030 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 1/20 0.41
HIF1A Q16665 1/20 0.41
CACNA2D1 P54289 2/20 0.41
CACNA1B Q00975 2/20 0.41
CACNB1 Q02641 2/20 0.41
CACNA1C Q13936 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CACNA1G O43497 1/20 0.41
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL7064427 0.92 HCAR2 (0.42) OPRM1OPRD1OPRK1OPRL1MAPKAPK2
SCHEMBL7066526 0.88 OPRM1 (0.41) OPRM1OPRD1OPRK1OPRL1MAPKAPK2
SCHEMBL7067276 0.87 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1
SCHEMBL7067467 0.87 SLC6A2 (0.44) OPRM1OPRD1OPRK1OPRL1SMN1; SMN2
SCHEMBL7066363 0.86 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1LMNA
SCHEMBL6233365 0.84 PKM (0.44) ALDH1A1POLBMEN1NPC1RAB9A
SCHEMBL7068098 0.84 PKM (0.44) ALDH1A1POLBMEN1NPC1RAB9A
SCHEMBL6231716 0.84 PKM (0.44) ALDH1A1POLBMEN1NPC1RAB9A
SCHEMBL7062135 0.82 GAA (0.45) OPRM1OPRD1OPRK1OPRL1POLB
SCHEMBL7066810 0.82 CHRM2 (0.41) OPRM1OPRD1OPRK1OPRL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0827954-B1 Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL CO (JP) 2003-06-04 EP disclosed
US-6114543-A Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-09-05 US disclosed
US-5880291-A Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-03-09 US disclosed
EP-0827954-A1 Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-03-11 EP disclosed