SCHEMBL9506104

SCHEMBL9506104

O=C(O)c1cc(C(=O)OCc2ccccc2[N+](=O)[O-])c(C(=O)OCc2ccccc2[N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ TSHR P16473 2/20 0.47
▸ MAOB P27338 1/20 0.47
▸ HTT P42858 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ PKM P14618 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ NPC1 O15118 2/20 0.42

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
SCHEMBL31346758 0.90 ALDH1A1 (0.56) ALDH1A1TSHRMAOBHTTLMNA
SCHEMBL4277060 0.82 PPARG (0.55) ALDH1A1TSHRMAOBHTTLMNA
SCHEMBL8673819 0.81 ALDH1A1 (0.47) ALDH1A1TSHRMAOBHTTLMNA
SCHEMBL1058873 0.81 RAB9A (0.64) ALDH1A1TSHRMAOBHTTLMNA
SCHEMBL602068 0.81 MAOB (0.55) ALDH1A1TSHRMAOBHTTKDM4E
SCHEMBL602067 0.81 MAOB (0.55) ALDH1A1TSHRMAOBHTTKDM4E
SCHEMBL286962 0.79 MAOB (0.56) ALDH1A1TSHRMAOBHTTMEN1
SCHEMBL31066902 0.78 ALDH1A1 (0.49) ALDH1A1TSHRHTTLMNAMAPT
SCHEMBL27056760 0.78 MAOB (0.43) ALDH1A1TSHRMAOBHTTLMNA
SCHEMBL26343373 0.78 MAOB (0.52) ALDH1A1TSHRMAOBHTTKDM4E

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-0262446-B1 PHOTOSENSITIVE AMPHIPHILIC HIGH POLYMERS AND PROCESS FOR THEIR PRODUCTION KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-07-21 — — EP disclosed
US-5043248-A Photosensitive thin films KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-08-27 — — US disclosed
EP-0262446-A2 Photosensitive amphiphilic high polymers and process for their production KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-04-06 — — EP disclosed
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