SCHEMBL5158716

SCHEMBL5158716

Cc1cn(OC(=O)OC(C)(C)C)cn1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
ELANE P08246 1/20 0.33
NR2E1 Q9Y466 1/20 0.32
ALDH1A1 P00352 1/20 0.32
USP30 Q70CQ3 1/20 0.31
ALPL P05186 1/20 0.30
PLAA Q9Y263 1/20 0.30

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
SCHEMBL27438638 0.79 MAPT (0.33) ELANENR2E1ALDH1A1ALPLPLAA
SCHEMBL27357933 0.78 ALPL (0.34) NR2E1ALDH1A1ALPLPLAA
SCHEMBL28630919 0.77 ALDH1A1 (0.36) NR2E1ALDH1A1ALPLPLAA
SCHEMBL5172212 0.72 GPR119 (0.38) USP30
SCHEMBL4604074 0.72 HSD17B1 (0.41)
SCHEMBL9340118 0.69 TDP1 (0.41) BRD4ELANEALDH1A1
SCHEMBL3586455 0.69 ALPL (0.47) BRD4ALDH1A1ALPLPLAA
SCHEMBL5752899 0.69 ITGB3 (0.43)
SCHEMBL29692663 0.69 ELANE (0.36) ELANE
SCHEMBL3587303 0.68 TDP1 (0.34) ALDH1A1

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
EP-0988290-B1 CARBONYLDIIMIDAZOLES, THEIR ESTER DERIVATIVES AND METHOD FOR THEIR PRODUCTION BASF AG (DE) 2007-01-10 EP disclosed
EP-0988290-A1 CARBONYLDIIMIDAZOLES, THEIR ESTER DERIVATIVES AND METHOD FOR THEIR PRODUCTION BASF AKTIENGESELLSCHAFT (DE) 2000-03-29 EP disclosed
WO-1998056769-A1 CARBONYLDIIMIDAZOLES, THEIR ESTER DERIVATIVES AND METHOD FOR THEIR PRODUCTION BASF AKTIENGESELLSCHAFT (DE) 1998-12-17 WO disclosed