SCHEMBL7674010

SCHEMBL7674010

CC=CCC(C)C1OC(=O)N(C(C)c2cccc3ccccc23)C1C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 2/20 0.35
HSD11B1 P28845 2/20 0.35
CASR P41180 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
XIAP P98170 2/20 0.34

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
SCHEMBL7674006 1.00 GPR139 (0.35) GPR139HSD11B1CASRCYP1A2CYP2C19
SCHEMBL7674018 0.86 HSD11B1 (0.41) GPR139HSD11B1CASRXIAP
SCHEMBL7671032 0.86 HSD11B1 (0.41) GPR139HSD11B1CASRXIAP
SCHEMBL7667160 0.80 HSD11B1 (0.41) GPR139HSD11B1CASRXIAP
SCHEMBL7668338 0.80 HSD11B1 (0.41) GPR139HSD11B1CASRXIAP
SCHEMBL7670061 0.79 GPR139 (0.39) GPR139HSD11B1CASRXIAP
SCHEMBL7672054 0.78 HSD11B1 (0.39) GPR139HSD11B1CASR
SCHEMBL7667907 0.78 HSD11B1 (0.39) GPR139HSD11B1CASR
SCHEMBL7672137 0.78 CYP1A2 (0.39) GPR139HSD11B1CASRCYP1A2CYP2C19
SCHEMBL7667608 0.77 HSD11B1 (0.40) GPR139HSD11B1CASRCYP2C19XIAP

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
US-6414160-B1 REACTING 5-ALKOXY-2(3H)OXAZOLONE COMPOUND WITH ALDEHYDE COMPOUND IN PRESENCE OF LEWIS ACID CATALYST UBE INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
EP-1000937-A1 PROCESS FOR PRODUCING 4-ALKOXYCARBONYL-2-OXAZOLIDINONE COMPOUNDS UBE INDUSTRIES LIMITED (JP) 2000-05-17 EP disclosed