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SCHEMBL17734047

SCHEMBL17734047

C/C(=C\[C@H](C(C)C)N(C)C(=O)C(NC(=O)[C@H]1CCCCN1C(C)C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](CO)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTRB1 P17538 1/20 0.41
▸ TUBB1 Q9H4B7 1/20 0.40
▸ SLC6A2 P23975 1/20 0.39
▸ TACR1 P25103 8/20 0.38
▸ CMA1 P23946 4/20 0.38
▸ OPRM1 P35372 2/20 0.38
▸ OPRD1 P41143 2/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ ELANE P08246 2/20 0.37
▸ CTSG P08311 1/20 0.37

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
SCHEMBL17733999 1.00 CTRB1 (0.41) CTRB1TUBB1SLC6A2TACR1CMA1
SCHEMBL13848659 1.00 CTRB1 (0.41) CTRB1TUBB1SLC6A2TACR1CMA1
SCHEMBL13682340 1.00 CTRB1 (0.41) CTRB1TUBB1SLC6A2TACR1CMA1
SCHEMBL59463 1.00 CTRB1 (0.41) CTRB1TUBB1SLC6A2TACR1CMA1
SCHEMBL16169549 1.00 CTRB1 (0.41) CTRB1TUBB1SLC6A2TACR1CMA1
SCHEMBL59201 0.91 TUBB1 (0.44) TUBB1ELANE
SCHEMBL13682364 0.91 TUBB1 (0.44) TUBB1ELANE
SCHEMBL17734027 0.91 TUBB1 (0.44) TUBB1ELANE
SCHEMBL59486 0.89 TACR1 (0.42) TUBB1TACR1ELANE
SCHEMBL15430034 0.89 CMA1 (0.43) TACR1CMA1OPRM1OPRD1OPRK1

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
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