SCHEMBL4334655

SCHEMBL4334655

O=P(O)(O)c1ccccc1C[n+]1ccc(-c2cc[n+](-c3ccc(Oc4ccccc4)cc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ MMP14 P50281 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ S1PR1 P21453 2/20 0.32
▸ MMP12 P39900 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ PABPC1 P11940 1/20 0.32
▸ EIF4H Q15056 1/20 0.32
▸ CTDSP1 Q9GZU7 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PTK2B Q14289 2/20 0.32
▸ ALPG P10696 1/20 0.32
▸ MAPT P10636 1/20 0.31

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
Hydrochloric Acid SCHEMBL2259344 0.99 HTT (0.33) MMP2CA9MMP8MMP14CA14
Hydrochloric Acid SCHEMBL2264053 0.88 ALDH1A1 (0.36) PTK2BALPG
Hydrochloric Acid SCHEMBL3921996 0.83 POLB (0.31) PTK2BALPG
Hydrochloric Acid SCHEMBL2259575 0.83 RAB9A (0.45) HTTSMN1; SMN2PTK2B
Hydrochloric Acid SCHEMBL2260403 0.81 PTPN5 (0.35) MAPT
Hydrochloric Acid SCHEMBL601780 0.78 MMP2 (0.39) MMP2CA9MMP8MMP14CA14
Hydrochloric Acid SCHEMBL2892896 0.78 RAB9A (0.38) HTTSMN1; SMN2PTK2B
Hydrochloric Acid SCHEMBL2260155 0.77 ALDH1A1 (0.51) HTTSMN1; SMN2PTK2BALPGMAPT
SCHEMBL19757277 0.77 MMP2 (0.34) MMP2CA9MMP8MMP14CA14
Hydrochloric Acid SCHEMBL2466857 0.76 ALDH1A1 (0.53) HTTSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2096490-A1 DISPLAY ELEMENT AND METHOD OF DRIVING THE SAME Konica Minolta Holdings, Inc. (JP) 2009-09-02 — — EP disclosed
EP-1594938-A1 ELECTROCHROMIC COMPOUNDS Ntera Limited (IE) 2005-11-16 — — EP disclosed
WO-2004067673-A1 ELECTROCHROMIC COMPOUNDS NTERA LIMITED (IE) 2004-08-12 — — WO disclosed
EP-1443091-A1 Electrochromic compounds Ntera Limited (IE) 2004-08-04 — — EP disclosed
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