SCHEMBL9520168

SCHEMBL9520168

COC(=O)CCc1cc([N+](=O)[O-])c(O)c(C(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.52
▸ KMT2A Q03164 5/20 0.49
▸ MEN1 O00255 3/20 0.47
▸ HTT P42858 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ GALR3 O60755 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ VCAM1 P19320 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ AGTR1 P30556 1/20 0.42
▸ GPR35 Q9HC97 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ HPGD P15428 1/20 0.38

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
SCHEMBL490767 0.86 GAA (0.67) GAAKMT2AMEN1HTTSMN1; SMN2
Methane SCHEMBL9226524 0.85 GAA (0.65) GAAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL7647695 0.85 GAA (0.65) GAAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL1292189 0.82 GAA (0.58) GAAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL29752821 0.82 GAA (0.58) GAAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL925918 0.82 KMT2A (0.39) KMT2AMEN1HTTALDH1A1LMNA
SCHEMBL5184540 0.81 CES2 (0.42) GAAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL5184541 0.81 CES2 (0.42) GAAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL11056873 0.81 GAA (0.60) GAAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL6860676 0.80 GAA (0.41) GAAKMT2AMEN1HTTSMN1; SMN2

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-0359710-B1 OPTICAL BRIGHTENING AGENTS CIBA-GEIGY AG (CH) 1993-06-16 — — EP disclosed
US-5071993-A Bis(dibenzoxayzoyl) thiophene fluorescent brighteners CIBA-GEIGY CORPORATION (US) 1991-12-10 — — US disclosed
EP-0359710-A1 Optical brightening agents CIBA-GEIGY AG (CH) 1990-03-21 — — EP disclosed
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