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SCHEMBL4862472

SCHEMBL4862472

CNC(C(=O)N[C@H](C(=O)N(C)[C@H](C=C(C)CO)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.64
▸ MMP2 P08253 7/20 0.35
▸ MMP3 P08254 7/20 0.35
▸ ADAM17 P78536 6/20 0.35
▸ MMP1 P03956 5/20 0.35
▸ TNF P01375 1/20 0.35
▸ STAT6 P42226 2/20 0.34
▸ TRPA1 O75762 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP8 P22894 1/20 0.33

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
SCHEMBL58652 1.00 TUBB1 (0.64) TUBB1MMP2MMP3ADAM17MMP1
SCHEMBL88707 1.00 TUBB1 (0.64) TUBB1MMP2MMP3ADAM17MMP1
SCHEMBL14233306 1.00 TUBB1 (0.64) TUBB1MMP2MMP3ADAM17MMP1
SCHEMBL4372660 1.00 TUBB1 (0.64) TUBB1MMP2MMP3ADAM17MMP1
SCHEMBL58246 1.00 TUBB1 (0.64) TUBB1MMP2MMP3ADAM17MMP1
Trifluoroacetic Acid SCHEMBL4372079 0.96 TUBB1 (0.60) TUBB1MMP2MMP3ADAM17MMP1
Trifluoroacetic Acid SCHEMBL4372087 0.96 TUBB1 (0.60) TUBB1MMP2MMP3ADAM17MMP1
SCHEMBL13682456 0.92 TUBB1 (0.64) TUBB1MMP2MMP3ADAM17MMP1
SCHEMBL4368562 0.90 TUBB1 (0.70) TUBB1MMP2MMP3ADAM17MMP1
SCHEMBL13581415 0.90 TUBB1 (0.70) TUBB1MMP2MMP3ADAM17MMP1

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
US-7390910-B2 Compounds for treating tumors WYETH (US) 2008-06-24 — — US disclosed