SCHEMBL18092158

SCHEMBL18092158

CCCCCCCOC(=O)N(CN(C(=O)OCCCCCCC)C1CCCCC1)C1CCCCC1.CCCCCCOC(=O)N(CN(C(=O)OCCCCCC)C1CCCCC1)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.42
EPHX2 P34913 1/20 0.41
EPHX1 P07099 1/20 0.40
TSHR P16473 3/20 0.39
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CES2 O00748 1/20 0.38

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
SCHEMBL1838299 1.00 NAAA (0.42) NAAAEPHX2EPHX1TSHRGAA
SCHEMBL1835393 1.00 NAAA (0.42) NAAAEPHX2EPHX1TSHRGAA
SCHEMBL1838391 1.00 NAAA (0.42) NAAAEPHX2EPHX1TSHRGAA
SCHEMBL1835532 0.98 EPHX2 (0.42) NAAAEPHX2EPHX1TSHRMAPK1
SCHEMBL1838694 0.94 ALDH1A1 (0.40) NAAAEPHX2TSHR
SCHEMBL28177806 0.90 NAAA (0.41) NAAAEPHX2EPHX1TSHR
SCHEMBL1837078 0.87 ADH1A (0.40)
SCHEMBL28177805 0.87 NAAA (0.41) NAAAEPHX2EPHX1TSHR
SCHEMBL6982446 0.84
SCHEMBL28335632 0.83 ALDH1A1 (0.39) NAAAEPHX2

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-2322504-B9 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2017-09-06 EP disclosed
EP-2322504-B1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2016-09-28 EP disclosed