SCHEMBL6670340

SCHEMBL6670340

CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.47
MMP8 P22894 1/20 0.38
OPRK1 P41145 3/20 0.38
CTSC P53634 1/20 0.38
CTSD P07339 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6670337 1.00 TUBB1 (0.47) TUBB1MMP8OPRK1CTSCCTSD
SCHEMBL4924404 0.88 TUBB1 (0.51) TUBB1MMP8CTSDSMN1; SMN2
SCHEMBL4924411 0.88 TUBB1 (0.51) TUBB1MMP8CTSDSMN1; SMN2
SCHEMBL12201938 0.85 TUBB1 (0.46) TUBB1SMN1; SMN2
SCHEMBL4370499 0.84 TUBB1 (0.54) TUBB1MMP8SMN1; SMN2
SCHEMBL4370496 0.84 TUBB1 (0.54) TUBB1MMP8SMN1; SMN2
SCHEMBL4924628 0.84 TUBB1 (0.54) TUBB1MMP8SMN1; SMN2
SCHEMBL4924632 0.84 TUBB1 (0.54) TUBB1MMP8SMN1; SMN2
SCHEMBL6683206 0.84 TUBB1 (0.48) TUBB1MMP8CTSDSMN1; SMN2
SCHEMBL6671594 0.84 TUBB1 (0.48) TUBB1MMP8CTSDSMN1; SMN2

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
WO-2004026293-A2 HEMIASTERLIN DERIVATIVES FOR TREATING RESISTANT TUMORS WYETH HOLDINGS CORPORATION (US) 2004-04-01 WO disclosed