SCHEMBL9875321

SCHEMBL9875321

CCOP(=S)(OCC)OC1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.38
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
EPHX1 P07099 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NAAA Q02083 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
SCHEMBL17285155 0.79 ACHE (0.43) ACHEMEN1KMT2A
SCHEMBL29351118 0.76 ACHE (0.42) ACHEMEN1KMT2A
SCHEMBL575759 0.75 TSHR (0.48) ACHETDP1MEN1KMT2AMMP1
SCHEMBL14966337 0.75 TSHR (0.48) ACHETDP1MEN1KMT2AMMP1
SCHEMBL575336 0.73 ACHE (0.50) ACHETDP1MEN1KMT2AMMP1
SCHEMBL575204 0.72 TSHR (0.50) ACHETDP1MEN1KMT2AMMP1
Sulfotep SCHEMBL9231339 0.72 TDP1 (0.41) ACHETDP1MEN1KMT2AALDH1A1
SCHEMBL575179 0.72 TSHR (0.52) ACHETDP1MEN1KMT2AMMP1
SCHEMBL575648 0.72 ACHE (0.44) ACHETDP1MEN1KMT2AMMP1
SCHEMBL10625218 0.72 ACHE (0.44) ACHEMEN1KMT2AMMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5011526-A Combination of thiocarbamate herbicide, organophosphorus compound, antidote ICI AMERICAS INC. (US) 1991-04-30 US disclosed
US-4915725-A ORGANOPHOSPHORUS COMPOUNDS PROLONG THE EFFECTIVENESS OF A SINGLE APPLICATION OF THIOCARBAMATE HERBICIDE ICI AMERICAS, INC. (US) 1990-04-10 US disclosed