SCHEMBL11005137

SCHEMBL11005137

COP(O)(=S)Oc1ccc(Sc2ccc(OP(O)(=S)OC)c(C)c2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PPARD Q03181 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL28299991 0.74 KDM4E (0.37) ALDH1A1CYP3A4TSHRMAPTKMT2A
SCHEMBL14176700 0.73 AR (0.44) ARALDH1A1CYP3A4HSD17B10MAPT
SCHEMBL11041326 0.72 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRHSD17B10MAPT
SCHEMBL8467688 0.72 TP53 (0.40) ALDH1A1CYP3A4HSD17B10HPGDKMT2A
SCHEMBL12305408 0.68 TSHR (0.47) ALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL3415740 0.67 AR (0.40) ARALDH1A1MAPTHPGDOPRM1
SCHEMBL9003240 0.67 L3MBTL1 (0.36) CYP3A4HSD17B10MAPTHPGDKMT2A
SCHEMBL11776507 0.66 GAA (0.38) ALDH1A1CYP3A4TSHRHSD17B10MAPT
SCHEMBL4955631 0.66 PPARD (0.39) ALDH1A1PPARDMAPTHPGDOPRM1
SCHEMBL8469163 0.65 TP53 (0.40) ALDH1A1CYP3A4HSD17B10HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0131762-A1 Agricultural chemical preparation in the form of aqueous suspension Sumitomo Corporation (JP) 1985-01-23 EP disclosed