SCHEMBL17734005

SCHEMBL17734005

CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)C(NC(=O)[C@H]1CCCCN1C(C)=O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.46
FKBP1A P62942 4/20 0.37
ELANE P08246 2/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
STAT6 P42226 1/20 0.32

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
SCHEMBL58625 1.00 TUBB1 (0.46) TUBB1FKBP1AELANEMEN1KMT2A
SCHEMBL13681991 1.00 TUBB1 (0.46) TUBB1FKBP1AELANEMEN1KMT2A
SCHEMBL88749 1.00 TUBB1 (0.46) TUBB1FKBP1AELANEMEN1KMT2A
SCHEMBL28381670 0.95 TUBB1 (0.47) TUBB1FKBP1AELANEMEN1KMT2A
SCHEMBL22069909 0.95 TUBB1 (0.47) TUBB1FKBP1AELANEMEN1KMT2A
SCHEMBL28380575 0.95 TUBB1 (0.47) TUBB1FKBP1AELANEMEN1KMT2A
SCHEMBL22283984 0.95 TUBB1 (0.47) TUBB1FKBP1AELANEMEN1KMT2A
SCHEMBL22283983 0.95 TUBB1 (0.47) TUBB1FKBP1AELANEMEN1KMT2A
SCHEMBL28380576 0.95 TUBB1 (0.47) TUBB1FKBP1AELANEMEN1KMT2A
SCHEMBL57624 0.92 KMT2A (0.43) TUBB1FKBP1AMEN1KMT2A

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-2374454-B1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI R&D MAN CO LTD (JP) 2016-05-11 EP disclosed