SCHEMBL8019102

SCHEMBL8019102

CCCCC(CC)CP(=S)(CC(CC)CCCC)NP(=S)(CC(CC)CCCC)CC(CC)CCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
CYP3A4 P08684 5/20 0.48
TSHR P16473 4/20 0.48
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.41
CA2 P00918 3/20 0.37
ATM Q13315 1/20 0.34
USP2 O75604 3/20 0.33
MEN1 O00255 2/20 0.33
TP53 P04637 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2D6 P10635 2/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
BCL2L1 Q07817 3/20 0.33
BAK1 Q16611 3/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL5567067 0.85 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRTDP1L3MBTL1
SCHEMBL9740422 0.77 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRTDP1L3MBTL1
SCHEMBL15153089 0.75 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHRTDP1L3MBTL1
SCHEMBL27296494 0.73 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHRTDP1L3MBTL1
SCHEMBL554770 0.71 CYP3A4 (0.55) ALDH1A1CYP3A4TSHRTDP1L3MBTL1
SCHEMBL3884493 0.71 ALDH1A1 (0.68) ALDH1A1CYP3A4TSHRTDP1L3MBTL1
SCHEMBL387001 0.71
SCHEMBL27613222 0.70 CYP3A4 (0.53) ALDH1A1CYP3A4TSHRTDP1L3MBTL1
SCHEMBL9470459 0.70 CYP3A4 (0.53) ALDH1A1CYP3A4TSHRTDP1L3MBTL1
SCHEMBL28812223 0.69 CYP3A4 (0.48) ALDH1A1CYP3A4TSHRTDP1L3MBTL1

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 6 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-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