SCHEMBL2838360

SCHEMBL2838360

O=S(=O)(NCC(c1ccc2c(c1)OCO2)N1CCCCC1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 5/20 0.47
▸ LMNA P02545 3/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ OPRD1 P41143 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ GLA P06280 1/20 0.44

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
SCHEMBL2840117 0.97 TP53 (0.48) TP53LMNAOPRM1OPRD1L3MBTL1
SCHEMBL2840994 0.92 TP53 (0.58) TP53LMNAALDH1A1
SCHEMBL2837650 0.91 TP53 (0.57) TP53LMNAOPRM1OPRD1
SCHEMBL2841679 0.91 ALDH1A1 (0.56) TP53LMNAOPRM1OPRD1L3MBTL1
SCHEMBL2841104 0.90 TP53 (0.47) TP53LMNAOPRM1OPRD1L3MBTL1
SCHEMBL2841776 0.85 LMNA (0.52) TP53LMNAL3MBTL1ALDH1A1
SCHEMBL2847041 0.84 TP53 (0.55) TP53LMNAOPRM1OPRD1
SCHEMBL13381525 0.83 ADAM33 (0.47) TP53LMNAL3MBTL1ALDH1A1GLA
SCHEMBL2836208 0.83 LMNA (0.53) TP53LMNA
SCHEMBL2838161 0.83 MAPT (0.61) TP53LMNA

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
WO-2010039911-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-08 — — WO claimed
WO-2010039911-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-08 — — WO disclosed
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