SCHEMBL9680638

SCHEMBL9680638

Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 1/20 0.58
▸ MMP9 P14780 5/20 0.57
▸ MMP2 P08253 5/20 0.55
▸ TDP1 Q9NUW8 1/20 0.53
▸ NPY5R Q15761 2/20 0.52
▸ THRB P10828 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ ADAMTS4 O75173 1/20 0.52
▸ CTSL P07711 1/20 0.51
▸ POLB P06746 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ PLAU P00749 1/20 0.50
▸ HPN P05981 1/20 0.50
▸ F2 P00734 2/20 0.49
▸ PRSS1 P07477 2/20 0.49
▸ PRSS2 P07478 2/20 0.49
▸ PRSS3 P35030 2/20 0.49

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
SCHEMBL9678883 0.82 MMP9 (0.56) MMP9MMP2TDP1NPY5RTHRB
SCHEMBL13957019 0.81 MMP9 (0.66) MMP9MMP2TDP1NPY5RTHRB
SCHEMBL9679311 0.80 SOAT2 (0.59) MMP9SMN1; SMN2
SCHEMBL9679315 0.80 SOAT2 (0.59) MMP9SMN1; SMN2
SCHEMBL697476 0.80 MMP2 (0.79) MMP9MMP2TDP1ADAMTS4CTSL
SCHEMBL1203540 0.80 MMP2 (0.79) MMP9MMP2TDP1ADAMTS4CTSL
SCHEMBL697477 0.80 MMP2 (0.79) MMP9MMP2TDP1ADAMTS4CTSL
SCHEMBL15213296 0.79 MMP9 (0.63) MMP9MMP2TDP1ADAMTS4CTSL
SCHEMBL14519991 0.79 MMP9 (0.63) MMP9MMP2TDP1ADAMTS4CTSL
SCHEMBL14544569 0.79 MMP9 (0.65) MMP9MMP2TDP1ADAMTS4CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0415413-A1 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-03-06 — — EP claimed
US-5153226-A Administering as anticholesterol agents, for atherosclerosis WARNER-LAMBERT COMPANY (US) 1992-10-06 — — US disclosed
EP-0415413-A1 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-03-06 — — EP disclosed
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