SCHEMBL4334656

SCHEMBL4334656

O=P(O)(O)C(c1ccccc1)[n+]1ccc(-c2cc[n+](-c3ccc(Oc4ccccc4)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 4/20 0.44
▸ CA9 Q16790 4/20 0.44
▸ MMP8 P22894 3/20 0.44
▸ MMP14 P50281 3/20 0.44
▸ CA14 Q9ULX7 3/20 0.44
▸ ACP3 P15309 4/20 0.37
▸ SRD5A2 P31213 1/20 0.36
▸ ACACB O00763 2/20 0.35
▸ ACACA Q13085 2/20 0.35
▸ SRC P12931 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ PTGS1 P23219 1/20 0.33
▸ CA2 P00918 4/20 0.33
▸ CA1 P00915 2/20 0.33
▸ MMP9 P14780 2/20 0.32
▸ CA12 O43570 1/20 0.32

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 SCHEMBL2259347 0.99 MMP2 (0.43) MMP2CA9MMP8MMP14CA14
Hydrochloric Acid SCHEMBL2264057 0.87 ACP3 (0.41) CA9MMP8MMP14CA14ACP3
Hydrochloric Acid SCHEMBL2264240 0.84 ACP3 (0.37) MMP2MMP8MMP14CA14ACP3
Hydrochloric Acid SCHEMBL2259577 0.84 ACP3 (0.38) MMP8MMP14CA14ACP3SRC
Hydrochloric Acid SCHEMBL2262115 0.82 MMP2 (0.41) MMP2CA9MMP8MMP14CA14
Hydrochloric Acid SCHEMBL2260405 0.81 MMP2 (0.39) MMP2CA9MMP8MMP14CA14
Hydrochloric Acid SCHEMBL2892897 0.78 ACP3 (0.39) MMP8MMP14CA14ACP3SRC
SCHEMBL12240007 0.78 LTA4H (0.50) CA9SRD5A2PGRCA2CA1
SCHEMBL12239725 0.78 LTA4H (0.50) CA9SRD5A2PGRCA2CA1
SCHEMBL13943794 0.78 LTA4H (0.50) CA9SRD5A2PGRCA2CA1

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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