SCHEMBL9150388

SCHEMBL9150388

COC(=O)C(CCCC(=O)O)Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.47
▸ HPGD P15428 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ KMT2A Q03164 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ATM Q13315 1/20 0.40

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
SCHEMBL9150392 1.00 ALDH1A1 (0.47) ALDH1A1HPGDGAAL3MBTL1TDP1
SCHEMBL9150382 0.91 ALDH1A1 (0.47) ALDH1A1HPGDGAAL3MBTL1TDP1
SCHEMBL10677188 0.87 ALDH1A1 (0.48) ALDH1A1HPGDGAAL3MBTL1TDP1
SCHEMBL6886106 0.83 HPGD (0.47) ALDH1A1HPGDGAAL3MBTL1TDP1
SCHEMBL6256322 0.78 GAA (0.52) ALDH1A1HPGDGAAL3MBTL1TDP1
SCHEMBL6473296 0.76 GAA (0.55) ALDH1A1HPGDGAAL3MBTL1TDP1
SCHEMBL7181259 0.76 ALDH1A1 (0.50) ALDH1A1L3MBTL1TDP1RAB9APOLB
SCHEMBL16065419 0.75 L3MBTL1 (0.58) ALDH1A1HPGDGAAL3MBTL1TDP1
SCHEMBL16065420 0.75 L3MBTL1 (0.58) ALDH1A1HPGDGAAL3MBTL1TDP1
SCHEMBL7508888 0.75 ALDH1A1 (0.51) ALDH1A1HPGDGAAL3MBTL1TDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5474988-A Analgesics, antiinflammatory agents KALI-CHEMIE PHARMA GMBH (DE) 1995-12-12 — — US disclosed
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