SCHEMBL8016604

SCHEMBL8016604

COc1ccccc1OP(=S)(OCl)Oc1ccccc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA12 O43570 1/20 0.52
CA4 P22748 1/20 0.52
CA14 Q9ULX7 1/20 0.52
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
MAPK1 P28482 3/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
ADRA2B P18089 1/20 0.39

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
SCHEMBL5851935 0.80 TSHR (0.38) CYP1A2CYP3A4CYP2C19ALDH1A1HTT
SCHEMBL11698433 0.79 CA1 (0.56) CA1CA2CA7CA9CA12
SCHEMBL8016586 0.79 CA1 (0.56) CA1CA2CA7CA9CA12
SCHEMBL4633890 0.76 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL5850849 0.76 HTR7 (0.34) HTTHPGDMEN1KMT2ALMNA
SCHEMBL8016128 0.76 P2RX3 (0.36) CA1CA2CYP1A2CYP3A4CYP2C19
SCHEMBL3230150 0.73 LMNA (0.52) MAPK1ALDH1A1L3MBTL1HTTHPGD
SCHEMBL5850355 0.73
SCHEMBL5850487 0.73
1,2-Dimethoxybenzene SCHEMBL5308636 0.72 CA1 (1.00) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0573182-B1 Process for extracting metal values AVECIA LTD (GB) 2000-01-05 EP disclosed
US-5728853-A AMIDO(BISTHIOPHOSHORYL) COMPOUNDS USEFUL FOR EXTRACTING METAL VALUES FROM AQUEOUS SOLUTIONS OF METAL SALTS ZENECA LIMITED (GB) 1998-03-17 US disclosed
US-5557003-A SOLVENT EXTRACTION OF ZINC FROM ORE ZENECA LIMITED (GB) 1996-09-17 US disclosed
US-5502250-A HYDROMETALLURGICAL PROCESS FOR EXTRACTING ZINC FROM ORE ZENECA LIMITED (GB) 1996-03-26 US disclosed
US-5433855-A Solvent extraction ZENECA LIMITED (GB) 1995-07-18 US disclosed
US-5393431-A Solvent extraction using a aminobis(thiophosphoryl) compound ZENECA LIMITED (GB) 1995-02-28 US disclosed
EP-0573182-A1 Process for extracting metal values ZENECA LIMITED (GB) 1993-12-08 EP disclosed