SCHEMBL4093802

SCHEMBL4093802

O=P(O)(O)C(c1ccc(Cl)cc1)P(=O)(O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.60
CYP1A2 P05177 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
THRB P10828 1/20 0.53
PMP22 Q01453 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MMP2 P08253 4/20 0.50
MMP8 P22894 3/20 0.50
PGK1 P00558 2/20 0.50
PGK2 P07205 2/20 0.50
MMP14 P50281 2/20 0.50
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
CA12 O43570 2/20 0.44
BRD4 O60885 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 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
Water SCHEMBL9146143 0.96 SRC (0.56) SRCCYP1A2LMNAMAPTTHRB
SCHEMBL9301497 0.87 SRC (0.75) SRCCYP1A2LMNAMAPTTHRB
SCHEMBL2730955 0.87 CYP1A2 (0.47) SRCCYP1A2LMNAMAPTTHRB
Water SCHEMBL9146136 0.84 MMP1 (0.46) SRCCYP1A2LMNAMAPTTHRB
SCHEMBL19638012 0.81 ACP3 (0.58) CYP1A2LMNAMAPTTHRBPMP22
SCHEMBL2171583 0.80 SRC (0.65) SRCMMP8PGK1PGK2MMP14
(4-Chlorophenyl)(Hydroxy)Methylphosphonic Acid SCHEMBL5746553 0.79 PGK1 (0.59) CYP1A2LMNAMAPTTHRBPMP22
(4-Chlorophenyl)(Hydroxy)Methylphosphonic Acid SCHEMBL292744 0.79 PGK1 (0.59) CYP1A2LMNAMAPTTHRBPMP22
SCHEMBL9204375 0.79 PGK1 (0.82) CYP1A2LMNAMAPTTHRBPMP22
SCHEMBL5936840 0.78 SRC (0.62) SRCCYP1A2LMNAMAPTPMP22

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293029-B2 Colored conversion layers on metal surfaces HENKEL AG & CO. KGAA (DE) 2012-10-23 US disclosed
EP-2057303-B1 CHROMIUM-FREE, THERMALLY CURABLE CORROSION PROTECTION COMPOSITION HENKEL AG & CO KGAA (DE) 2012-05-23 EP disclosed
US-20090214883-A1 CHROMIUM-FREE, THERMALLY CURABLE CORROSION PROTECTION COMPOSITION HENKEL AG & CO. KGAA (DE) 2009-08-27 US disclosed
US-20060173099-A1 Colored conversion layers on metal surfaces HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-08-03 US disclosed
US-4416877-A Anti-atherosclerotic pharmaceutical compositions containing diphosphonate compounds SYMPHAR S.A. (CH) 1983-11-22 US disclosed
US-4371527-A CIRCULATING HIGH DENSITY LIPOPROTEINS AND CLEARING CHOLESTEROL SYMPHAR S.A. (CH) 1983-02-01 US disclosed
EP-0015370-B1 DIPHOSPHONATE OR PHOSPHATE-PHOSPHONATE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1983-01-12 EP disclosed
US-4309364-A Diphosphonates SYMPHAR S.A. (CH) 1982-01-05 US disclosed
EP-0015370-A1 Diphosphonate or phosphate-phosphonate derivatives and pharmaceutical compositions containing them SYMPHAR S.A. (CH) 1980-09-17 EP disclosed