SCHEMBL7896705

SCHEMBL7896705

[O-][n+]1cccc2c1ccc1ccc[n+]([O-])c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.39
MAPT P10636 2/20 0.39
HSP90AA1 P07900 1/20 0.39
KDM4E B2RXH2 7/20 0.38
ALDH1A1 P00352 6/20 0.36
NPC1 O15118 5/20 0.36
GAA P10253 5/20 0.36
RAB9A P51151 5/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
GLA P06280 2/20 0.36
HPGD P15428 2/20 0.36
MITF O75030 1/20 0.36
TDP1 Q9NUW8 3/20 0.35
CYP2A6 P11509 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 4/20 0.34
TDP2 O95551 1/20 0.34
NSD2 O96028 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL29613269 0.85 ALDH1A1 (0.50) HTTKDM4EALDH1A1NPC1GAA
SCHEMBL7896191 0.85 ALDH1A1 (0.50) HTTKDM4EALDH1A1NPC1GAA
SCHEMBL5352485 0.84 MAPT (0.41) HTTMAPTHSP90AA1KDM4EALDH1A1
SCHEMBL6684284 0.82 ALDH1A1 (0.50) HTTMAPTHSP90AA1KDM4EALDH1A1
SCHEMBL10751447 0.79 PAX8 (0.38) HTTKDM4EALDH1A1NPC1GAA
SCHEMBL10748285 0.74 ALDH1A1 (0.41) HTTMAPTHSP90AA1KDM4EALDH1A1
SCHEMBL9531 0.72 ATM (0.48) ATM
SCHEMBL6125492 0.71 AHR (0.36) HTTMAPTHSP90AA1KDM4ENPC1
SCHEMBL7897391 0.71 CYP3A4 (0.56) HTTMAPTHSP90AA1KDM4EALDH1A1
SCHEMBL7900240 0.70 HTT (0.42) HTTMAPTHSP90AA1KDM4EALDH1A1

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
US-6183934-B1 FOE USE IN FORMATION OF PATTERN OF INSULATION FILM, PASSIVATION FILM, .ALPHA.-RAY SHIELDING FILM, OPTICAL WAVEGUIDE KABUSHIKI KAISHA TOSHIBA (JP) 2001-02-06 US disclosed
EP-0108437-B1 PROCESS FOR THE PREPARATION OF ETHYLIDENE DIACETATE AND/OR ACETIC ACID ANHYDRIDE SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1986-05-14 EP disclosed
EP-0108437-A1 Process for the preparation of ethylidene diacetate and/or acetic acid anhydride SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1984-05-16 EP disclosed