SCHEMBL7669764

SCHEMBL7669764

COC(=O)C1C(C(C)C)OC(=O)N1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP2D6 P10635 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
SLC6A4 P31645 1/20 0.35
MAOA P21397 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NAAA Q02083 2/20 0.34
PAX8 Q06710 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 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
SCHEMBL7675065 0.82 ALDH1A1 (0.38) ALDH1A1LMNAGAAHSD17B10SMN1; SMN2
SCHEMBL7672498 0.78 MAPT (0.39) ALDH1A1LMNAGAAHSD17B10CYP2D6
SCHEMBL7673066 0.78 CYP1A2 (0.38) ALDH1A1LMNAGAAHSD17B10CYP2D6
SCHEMBL24740443 0.75 MAOA (0.39) GAAMAOASMN1; SMN2POLB
SCHEMBL7674018 0.70 HSD11B1 (0.41) ALDH1A1LMNAGAA
SCHEMBL7671032 0.70 HSD11B1 (0.41) ALDH1A1LMNAGAA
SCHEMBL31419812 0.69 HSD11B1 (0.40) ALDH1A1MAOA
SCHEMBL31419816 0.69 HSD11B1 (0.40) ALDH1A1MAOA
SCHEMBL31419811 0.69 HSD11B1 (0.40) ALDH1A1MAOA
SCHEMBL7674192 0.68 MAPT (0.39) ALDH1A1LMNAGAAHSD17B10CYP2D6

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