SCHEMBL20171939

SCHEMBL20171939

COc1ccc(-c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C(C)C)cc4)cc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.59
▸ GAA P10253 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ MMP9 P14780 4/20 0.48
▸ MMP2 P08253 3/20 0.48
▸ MMP3 P08254 3/20 0.48
▸ MMP8 P22894 3/20 0.48
▸ MMP13 P45452 3/20 0.48
▸ MMP12 P39900 2/20 0.48
▸ MMP14 P50281 2/20 0.48
▸ MMP16 P51512 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ LMNA P02545 1/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ BMP1 P13497 1/20 0.45

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
SCHEMBL27048202 0.95 PKM (0.66) PKMGAAMAPTSMN1; SMN2POLB
SCHEMBL25819157 0.94 LMNA (0.53) PKMGAAMAPTSMN1; SMN2POLB
SCHEMBL10000942 0.88 LMNA (0.58) PKMGAAMAPTSMN1; SMN2POLB
SCHEMBL14456654 0.88 PKM (0.76) PKMGAASMN1; SMN2MMP9MMP2
SCHEMBL25819149 0.88 LMNA (0.58) PKMGAAMAPTSMN1; SMN2POLB
SCHEMBL19676870 0.86 PKM (0.54) PKMGAAMAPTSMN1; SMN2POLB
SCHEMBL25841271 0.86 ACACB (0.52) PKMGAAMAPTSMN1; SMN2POLB
SCHEMBL13918868 0.86 PKM (0.54) PKMGAAMAPTSMN1; SMN2POLB
SCHEMBL19382857 0.86 ACACB (0.52) PKMGAAMAPTSMN1; SMN2POLB
SCHEMBL26998909 0.85 PKM (0.53) PKMGAAMAPTSMN1; SMN2POLB

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
EP-2129716-B1 THERMOPLASTIC COMPOSITIONS CONTAINING MICROSPHERES SOLVAY SPECIALTY POLYMERS USA (US) 2018-05-23 — — EP disclosed
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