SCHEMBL9242550

SCHEMBL9242550

CCCOP(=O)(OCCC)Oc1ccc(SC)cc1.OP(O)(O)=S

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
PLK1 P53350 1/20 0.35

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
SCHEMBL116422 0.93 CA1 (0.43) BLMCA1CA2BCHEACHE
SCHEMBL7772930 0.81 CA1 (0.51) BLMCA1CA2BCHEACHE
SCHEMBL11242900 0.79 CA1 (0.42) BLMCA1CA2BCHEACHE
SCHEMBL11464966 0.76 CYP3A4 (0.58) CA1CA2BCHEACHEMAPT
SCHEMBL10619163 0.75 CYP3A4 (0.64) CA1CA2BCHEACHEMEN1
SCHEMBL11682261 0.74 ALDH1A1 (0.39) BLMCA1CA2BCHEACHE
SCHEMBL1726069 0.73 MEN1 (0.56) MEN1KMT2A
SCHEMBL11109918 0.72 SRC (0.54) BLMCA1CA2MAPTSMN1; SMN2
Methane SCHEMBL27447083 0.72 CA1 (0.44) BLMCA1CA2BCHEACHE
SCHEMBL11208193 0.72 SMN1; SMN2 (0.38) BLMTAS1R3TAS1R1MAPTKDM4E

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-5435939-A Stable emulsifiable gel matrix and aqueous macroemulsion prepared therefrom ISP INVESTMENTS INC. (US) 1995-07-25 US disclosed
US-5389688-A Nonsolvent, aqueous emulsions comprising a water insoluble agriculture active materials, surfactants, alkyl pyrrolidones; nontoxic, stability, shelf life ISP INVESTMENTS INC. (US) 1995-02-14 US disclosed
US-5354726-A Hydrophilic and hydrophobic solvents prevent precipitation on extended storage ISP INVESTMENTS INC. (US) 1994-10-11 US disclosed
US-5300529-A Stable, clear, efficacious aqueous microemulsion compositions containing a high loading of a water-insoluble, agriculturally active chemical ISP INVESTMENTS INC. (US) 1994-04-05 US disclosed
US-5283229-A A concentrate emulsions comprising an active materials, a surfactant and an amide solvent mixtures to dissolve, dispersing the water insoluble active materials; stability ISP INVESTMENTS INC. (US) 1994-02-01 US disclosed
US-5250499-A Delivery system for agricultural chemicals ISP INVESTMENTS INC. (US) 1993-10-05 US disclosed
US-5176736-A Emulsifiable herbicide concentrate ISP INVESTMENTS INC. (US) 1993-01-05 US disclosed
US-5160528-A Stable emulsifiable herbicide concentrates ISP INVESTMENTS INC. (US) 1992-11-03 US disclosed
US-5156666-A Emulsifiable concentrate comprising a pesticide, a surfactant, a hydrophobic solvent and a hydrophilic solvent; storage stability ISP INVESTMENTS INC. (US) 1992-10-20 US disclosed