SCHEMBL9150382

SCHEMBL9150382

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.47
▸ LMNA P02545 1/20 0.46
▸ GAA P10253 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 2/20 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
▸ MEN1 O00255 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
SCHEMBL9150388 0.91 ALDH1A1 (0.47) ALDH1A1LMNAGAAHPGDL3MBTL1
SCHEMBL9150392 0.91 ALDH1A1 (0.47) ALDH1A1LMNAGAAHPGDL3MBTL1
SCHEMBL10677188 0.89 ALDH1A1 (0.48) ALDH1A1GAAHPGDL3MBTL1TDP1
SCHEMBL16065419 0.78 L3MBTL1 (0.58) ALDH1A1LMNAGAAHPGDL3MBTL1
SCHEMBL17055832 0.77 ALDH1A1 (0.42) ALDH1A1LMNAGAAHPGDPOLB
SCHEMBL16065420 0.75 L3MBTL1 (0.58) ALDH1A1LMNAGAAHPGDL3MBTL1
SCHEMBL4825004 0.75 L3MBTL1 (0.58) ALDH1A1LMNAGAAHPGDL3MBTL1
SCHEMBL6256322 0.75 GAA (0.52) ALDH1A1LMNAGAAHPGDL3MBTL1
SCHEMBL28258113 0.74 ALDH1A1 (0.56) ALDH1A1GAAHPGDL3MBTL1TDP1
SCHEMBL27890906 0.74 LMNA (0.56) ALDH1A1LMNAGAAHPGDL3MBTL1

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-5474988-A Analgesics, antiinflammatory agents KALI-CHEMIE PHARMA GMBH (DE) 1995-12-12 — — US disclosed
EP-0614899-A1 5-Phenyl-pyrrolo-1,4-benzoxazine and thiazine derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them Kali-Chemie Pharma GmbH (DE) 1994-09-14 — — EP disclosed
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