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Sugi Predict / Compounds / SCHEMBL13682115

SCHEMBL13682115

SCHEMBL13682115

C/C(=C\[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)C1CCCCN1C1CC1)C(C)(C)C)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.57
▸ CNR2 P34972 11/20 0.36
▸ CNR1 P21554 7/20 0.34
▸ ELANE P08246 1/20 0.32
▸ OPRK1 P41145 1/20 0.30
▸ STAT6 P42226 1/20 0.30

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
SCHEMBL59464 1.00 TUBB1 (0.57) TUBB1CNR2CNR1ELANEOPRK1
SCHEMBL59244 0.98 TUBB1 (0.57) TUBB1CNR2CNR1ELANEOPRK1
SCHEMBL13682113 0.98 TUBB1 (0.57) TUBB1CNR2CNR1ELANEOPRK1
SCHEMBL13682200 0.97 TUBB1 (0.58) TUBB1CNR2CNR1ELANESTAT6
SCHEMBL13682114 0.97 TUBB1 (0.56) TUBB1CNR2CNR1ELANESTAT6
SCHEMBL58612 0.97 TUBB1 (0.58) TUBB1CNR2CNR1ELANESTAT6
SCHEMBL58400 0.97 TUBB1 (0.56) TUBB1CNR2CNR1ELANESTAT6
SCHEMBL12201775 0.90 TUBB1 (0.48) TUBB1CNR2CNR1STAT6
SCHEMBL13681981 0.88 TUBB1 (0.59) TUBB1ELANESTAT6
SCHEMBL16316203 0.88 TUBB1 (0.59) TUBB1ELANESTAT6

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
US-7585976-B2 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2009-09-08 — — US disclosed
US-7192972-B2 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2007-03-20 — — US disclosed