SCHEMBL11127152

SCHEMBL11127152

CCCSP(=O)(OCC)OC1=C(c2ccc(Cl)cc2C)C(=O)CC(C)(C)C1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ OPRM1 P35372 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL11127826 0.91 MEN1 (0.41) MEN1KMT2AOPRM1ALDH1A1LMNA
SCHEMBL11127497 0.90 BRD4 (0.31) OPRM1
SCHEMBL11127444 0.89 LMNA (0.33) MEN1KMT2AOPRM1ALDH1A1LMNA
SCHEMBL11124826 0.87 MEN1 (0.34) MEN1KMT2AOPRM1ALDH1A1LMNA
SCHEMBL11125168 0.86 SMN1; SMN2 (0.34) MEN1KMT2AOPRM1ALDH1A1LMNA
SCHEMBL11122283 0.86 LMNA (0.36) MEN1KMT2AALDH1A1LMNA
SCHEMBL11126795 0.85 BRD4 (0.30) —
SCHEMBL11125026 0.85 MEN1 (0.35) MEN1KMT2AALDH1A1LMNA
SCHEMBL11127761 0.83 SMN1; SMN2 (0.35) MEN1KMT2AOPRM1ALDH1A1LMNA
SCHEMBL11127901 0.82 PGR (0.35) MEN1KMT2A

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