SCHEMBL10884329

SCHEMBL10884329

CC(=O)OCc1[nH]c(=O)[nH]c1C(=O)c1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 6/20 0.40
▸ NPC1 O15118 5/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ NFKB1 P19838 2/20 0.40
▸ NFKB2 Q00653 2/20 0.40
▸ RELA Q04206 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ ALDH1A1 P00352 6/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL7436437 0.80 HPGD (0.44) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10876269 0.80 HPGDS (0.42) HPGDNPC1RAB9ANFKB1NFKB2
SCHEMBL10877089 0.75 MEN1 (0.56) HPGDNPC1RAB9ANFKB1NFKB2
SCHEMBL10878625 0.74 ALDH1A1 (0.40) ALDH1A1LMNAMAPTPDE3BPDE3A
SCHEMBL10877977 0.73 PDE3B (0.46) HPGDNPC1RAB9AALDH1A1LMNA
SCHEMBL31553388 0.73 ALDH1A1 (0.64) HPGDNPC1RAB9ANFKB1NFKB2
SCHEMBL7434232 0.71 HPGD (0.43) HPGDNPC1RAB9ANFKB1NFKB2
SCHEMBL2590383 0.66 NPC1 (0.56) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9787284 0.66 HPGD (0.43) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
Ethyl Acetate SCHEMBL27923714 0.65 ALDH1A1 (0.52) HPGDNPC1RAB9ANFKB1NFKB2

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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