SCHEMBL11221785

SCHEMBL11221785

CC(C)(SC(=O)N1CCCC1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ GAA P10253 1/20 0.45
▸ HPGD P15428 2/20 0.43
▸ CYP2B6 P20813 1/20 0.43
▸ HSD11B1 P28845 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ LYPLA2 O95372 1/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ ME2 P23368 1/20 0.39
▸ ME1 P48163 1/20 0.39
▸ ME3 Q16798 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RIPK1 Q13546 1/20 0.39

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
SCHEMBL11275087 0.98 HPGD (0.46) SMN1; SMN2GAAHPGDCYP2B6HSD11B1
SCHEMBL55223 0.98 HPGD (0.46) SMN1; SMN2GAAHPGDCYP2B6HSD11B1
SCHEMBL9292283 0.86 SIGMAR1 (0.49) SMN1; SMN2HPGDALDH1A1HTTUSP2
SCHEMBL11282002 0.84 ACHE (0.53) SMN1; SMN2GAAHPGDALDH1A1NPC1
SCHEMBL11278570 0.84 HPGD (0.47) SMN1; SMN2GAAHPGDALDH1A1NPC1
Endothall SCHEMBL4963604 0.83 TFPI2 (0.47) SMN1; SMN2ALDH1A1
SCHEMBL11276287 0.83 HPGD (0.51) SMN1; SMN2GAAHPGDALDH1A1MAPK1
SCHEMBL11268727 0.83 SMN1; SMN2 (0.44) SMN1; SMN2GAAHPGDHSD11B1ALDH1A1
S-Ethyl Dipropylcarbamothioate SCHEMBL15019931 0.81 TSHR (0.43) SMN1; SMN2GAAHPGDCYP2B6HSD11B1
SCHEMBL11267680 0.80 HPGD (0.51) SMN1; SMN2HPGDALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57167903-A — — None — — JP disclosed
JP-S57167903-A THIOLCARBAMATE HERBICIDAL COMPOSITION MITSUBISHI PETROCHEM CO LTD 1982-10-16 — — JP disclosed
US-4343737-A Process for production of thiolcarbamates and the thiolcarbamates obtained by said process MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1982-08-10 — — US disclosed
US-4298740-A REACTION OF TERTIARY HALOGEN COMPOUND WITH THIOLCARBAMIC ACID SALT MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1981-11-03 — — US disclosed
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