SCHEMBL10928329

SCHEMBL10928329

CCOC(=O)COc1ccc(C=C(C)[N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.47
▸ MAPT P10636 10/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ LMNA P02545 6/20 0.47
▸ HPGD P15428 6/20 0.47
▸ NPSR1 Q6W5P4 4/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ NTSR1 P30989 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ MAPK1 P28482 3/20 0.46
▸ TLR9 Q9NR96 2/20 0.46
▸ S1PR4 O95977 2/20 0.46
▸ S1PR1 P21453 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ ITGA4 P13612 1/20 0.46
▸ POLB P06746 4/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.45

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
SCHEMBL10928328 1.00 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL2925357 0.85 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL27732122 0.81 POLB (0.58) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL182652 0.80 MAPT (0.52) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL7447406 0.79 MAPK1 (0.54) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL6960 0.79 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL4261703 0.79 MAPT (0.51) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL10920881 0.79 ALDH1A1 (0.57) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL6813898 0.79 CYP4F2 (0.48) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL182622 0.78 RAB9A (0.56) ALDH1A1MAPTSMN1; SMN2LMNAHPGD

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
EP-0171702-A1 Benzoxazinone derivatives, preparation and use BEECHAM GROUP PLC (GB) 1986-02-19 — — EP disclosed
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