SCHEMBL8020056

SCHEMBL8020056

CCC(C)c1ccc(OP(=S)(OCl)Oc2ccc(C(C)CC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
TSHR P16473 2/20 0.44
MAPT P10636 3/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SLC7A5 Q01650 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HSP90AA1 P07900 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP2C9 P11712 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 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
SCHEMBL10947292 0.83 ALDH1A1 (0.46) ALDH1A1TSHRMAPTGAAMEN1
SCHEMBL8020054 0.83 ALDH1A1 (0.46) ALDH1A1TSHRMAPTGAAMEN1
SCHEMBL28495753 0.79 ALDH1A1 (0.50) ALDH1A1TSHRMAPTGAAMEN1
SCHEMBL10785258 0.78 ALDH1A1 (0.45) ALDH1A1TSHRMAPTGAAMEN1
SCHEMBL1790600 0.75 TSHR (0.53) ALDH1A1TSHRMAPTGAAMEN1
SCHEMBL12716935 0.72 BLM (0.54) ALDH1A1TSHRMAPTGAAMEN1
SCHEMBL5850251 0.72 CYP3A4 (0.50) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL8942284 0.72 ALDH1A1 (0.43) ALDH1A1TSHRMAPTGAAMEN1
SCHEMBL8019081 0.71 TSHR (0.43) ALDH1A1TSHRKMT2ATDP1L3MBTL1
SCHEMBL8016148 0.71 ALDH1A1 (0.46) ALDH1A1TSHRMAPTGAAMEN1

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