SCHEMBL7375365

SCHEMBL7375365

Cc1cc(C)cc(OCCC(N)=O)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ TP53 P04637 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ PARP10 Q53GL7 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL3731595 0.82 L3MBTL1 (0.67) MCL1L3MBTL1TP53ALOX15HPGD
SCHEMBL881471 0.81 L3MBTL1 (0.70) L3MBTL1TP53PARP10HPGDNPC1
SCHEMBL19520606 0.80 HPGD (0.53) PARP10HPGDNPC1ALDH1A1SMN1; SMN2
SCHEMBL2280556 0.77 TSHR (0.57) MCL1L3MBTL1TP53ALOX15SMN1; SMN2
SCHEMBL29023726 0.77 HDAC3 (0.47) TP53PARP10ALDH1A1MEN1KMT2A
SCHEMBL10591492 0.77 MCL1 (0.46) MCL1L3MBTL1TP53ALOX15HPGD
SCHEMBL5075724 0.77 HPGD (0.49) MCL1L3MBTL1HPGDNPC1ALDH1A1
SCHEMBL5929477 0.76 TP53 (0.52) TP53ALOX15HPGDNPC1ALDH1A1
SCHEMBL11355811 0.76 TP53 (0.46) MCL1L3MBTL1TP53ALOX15HPGD
SCHEMBL15048513 0.76 L3MBTL1 (0.53) MCL1L3MBTL1TP53ALOX15ALDH1A1

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
EP-1165500-A1 AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 — — EP disclosed
WO-2000059874-A1 NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 — — WO disclosed
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