SCHEMBL10875000

SCHEMBL10875000

COCc1[nH]c(=O)[nH]c1C(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ HPGD P15428 3/20 0.46
▸ SRD5A2 P31213 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ HTT P42858 2/20 0.45
▸ MAPK1 P28482 1/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 3/20 0.43
▸ CTNNB1 P35222 2/20 0.43
▸ WNT3A P56704 2/20 0.43
▸ TSHR P16473 2/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL10877130 0.84 SRD5A2 (0.49) MEN1KMT2AHPGDSRD5A2ALDH1A1
SCHEMBL10878497 0.80 SRD5A2 (0.52) MEN1KMT2AHPGDSRD5A2ALDH1A1
SCHEMBL10876017 0.78 TSHR (0.54) ALDH1A1MAPK1GAAMAPTCTNNB1
SCHEMBL10877366 0.76 PDE3B (0.49) MEN1KMT2AHPGDALDH1A1RAB9A
SCHEMBL10879697 0.76 PDE3B (0.49) HPGDALDH1A1MAPK1KDM4ETSHR
SCHEMBL10878768 0.74 HPGD (0.47) MEN1KMT2AHPGDALDH1A1RAB9A
SCHEMBL10876292 0.73 PDE3B (0.72) KMT2AHPGDTSHRHSD17B10
Hydrochloric Acid SCHEMBL10921324 0.73 ALDH1A1 (0.46) ALDH1A1RAB9ANPC1MAPK1KDM4E
SCHEMBL5469811 0.72 MEN1 (0.70) MEN1KMT2AHPGDALDH1A1RAB9A
SCHEMBL4824941 0.71 SRD5A2 (0.82) MEN1KMT2AHPGDSRD5A2ALDH1A1

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-0065165-B1 5-OXYMETHYL-4-ACYL-1,3-DIHYDRO-2H-IMIDAZOL-2-ONES MERRELL DOW PHARMACEUTICALS INC. (US) 1986-06-18 — — EP disclosed
US-4526981-A [1,2-Dihydro-4(5)-acyl-2-oxo-2H-imidazol-4(5)-yl] methyl nitrates MERRELL DOW PHARMACEUTICALS INC. (US) 1985-07-02 — — US disclosed
EP-0065165-A1 5-Oxymethyl-4-acyl-1,3-dihydro-2H-imidazol-2-ones MERRELL DOW PHARMACEUTICALS INC. (US) 1982-11-24 — — EP disclosed
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