SCHEMBL11123720

SCHEMBL11123720

CCCSP(=S)(OCC)OC1=C(c2ccc(Cl)cc2)C(=O)CC(C)(C)C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ LMNA P02545 3/20 0.36
▸ CYP3A4 P08684 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ ALPL P05186 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ IDH1 O75874 1/20 0.31
▸ WRN Q14191 1/20 0.30
▸ TP53 P04637 2/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ PTGS2 P35354 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
SCHEMBL11122283 0.86 LMNA (0.36) KMT2AMEN1LMNAALPLALDH1A1
SCHEMBL11123726 0.82 LMNA (0.35) KMT2AMEN1LMNAALPL
SCHEMBL11127830 0.82 MEN1 (0.38) KMT2AMEN1LMNACYP3A4HSD17B10
SCHEMBL11124540 0.80 MEN1 (0.39) KMT2AMEN1
SCHEMBL11126069 0.77 LMNA (0.39) KMT2AMEN1LMNAHPGDALPL
SCHEMBL11127504 0.77 THRB (0.32) —
SCHEMBL11127901 0.76 PGR (0.35) KMT2AMEN1CYP3A4
SCHEMBL11125026 0.75 MEN1 (0.35) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL11127826 0.74 MEN1 (0.41) KMT2AMEN1LMNATDP1ALDH1A1
SCHEMBL11127152 0.73 MEN1 (0.36) KMT2AMEN1LMNAALDH1A1

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
US-4409153-A MITICIDES, OVICIDES, HERBICIDES UNION CARBIDE CORPORATION (US) 1983-10-11 — — US disclosed
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