SCHEMBL9711985

SCHEMBL9711985

C=CCNC(=O)OC(C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.49
HCAR2 Q8TDS4 1/20 0.49
HPGD P15428 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
FAAH O00519 2/20 0.44
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.43
LPAR1 Q92633 2/20 0.42
LPAR3 Q9UBY5 1/20 0.42
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 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
SCHEMBL23992099 0.81 OPRM1 (0.49) OPRM1HCAR2LPAR1LPAR3
SCHEMBL7551767 0.81 MEN1 (0.49) POLB
SCHEMBL10638831 0.81 OPRM1 (0.53) OPRM1HCAR2LPAR1LPAR3
SCHEMBL9293279 0.80 OPRM1 (0.50) OPRM1HCAR2HPGDALDH1A1SMN1; SMN2
SCHEMBL1059565 0.80 HCAR2 (0.53) OPRM1HCAR2ALDH1A1HTTLPAR1
SCHEMBL27941408 0.80 OPRM1 (0.52) OPRM1HCAR2ALDH1A1LMNAHTT
SCHEMBL1059944 0.80 HCAR2 (0.53) OPRM1HCAR2ALDH1A1HTTLPAR1
SCHEMBL11186607 0.78 OPRM1 (0.51) OPRM1HCAR2HPGDALDH1A1HTT
SCHEMBL10639479 0.78 OPRM1 (0.51) OPRM1HCAR2LMNARAB9ASMN1; SMN2
SCHEMBL9831112 0.77 OPRM1 (0.50) OPRM1HCAR2HTTLPAR1LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0125726-B2 IMPROVED PROCESS FOR PREPARING ALKYL ISOCYANATES ENICHEM SYNTHESIS S.p.A. (IT) 1992-09-09 EP claimed
EP-0125726-B1 IMPROVED PROCESS FOR PREPARING ALKYL ISOCYANATES ENICHEM SYNTHESIS S.p.A. (IT) 1986-07-16 EP claimed
EP-0190466-B1 PROCESS FOR THE PRODUCTION OF N-METHYLCARBAMATES ENICHEM SYNTHESIS S.p.A. (IT) 1990-11-28 EP disclosed
US-4659845-A Process for the production of N-methylcarbamates ENICHEM SINTESI S.P.A. (IT) 1987-04-21 US disclosed
EP-0190466-A1 Process for the production of N-Methylcarbamates ENICHEM SYNTHESIS S.p.A. (IT) 1986-08-13 EP disclosed
EP-0125726-A1 Improved process for preparing alkyl isocyanates ENICHEM SYNTHESIS S.p.A. (IT) 1984-11-21 EP disclosed