SCHEMBL19787808

SCHEMBL19787808

CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)C3C45CCN4CC=CC(CC)(C45)[C@@H](O)[C@]3(O)C(=O)NC)C2)C1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLNR O43193 1/20 0.90
PTGS2 P35354 1/20 0.90
KCNH2 Q12809 1/20 0.90
GHSR Q92847 1/20 0.90
TUBB4A P04350 14/20 0.86
TUBB P07437 14/20 0.86
TUBA3C P0DPH7 14/20 0.86
TUBA1B P68363 14/20 0.86
TUBA4A P68366 14/20 0.86
TUBB4B P68371 14/20 0.86
TUBB3 Q13509 14/20 0.86
TUBB2A Q13885 14/20 0.86
TUBB8 Q3ZCM7 14/20 0.86
TUBA3E Q6PEY2 14/20 0.86
TUBA1A Q71U36 14/20 0.86
TUBA1C Q9BQE3 14/20 0.86
TUBB6 Q9BUF5 14/20 0.86
TUBB2B Q9BVA1 14/20 0.86
TUBB1 Q9H4B7 14/20 0.86
MEN1 O00255 5/20 0.84

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
SCHEMBL18602222 1.00 MLNR (0.90) MLNRPTGS2KCNH2GHSRTUBB4A
SCHEMBL13011060 1.00 MLNR (0.90) MLNRPTGS2KCNH2GHSRTUBB4A
SCHEMBL19443227 1.00 MLNR (0.90) MLNRPTGS2KCNH2GHSRTUBB4A
SCHEMBL18602221 0.96 MLNR (0.91) MLNRPTGS2KCNH2GHSRTUBB4A
SCHEMBL18602043 0.96 MLNR (0.91) MLNRPTGS2KCNH2GHSRTUBB4A
SCHEMBL18180506 0.96 MLNR (0.89) MLNRPTGS2KCNH2GHSRTUBB4A
Desacetylvinblastinehydrazide SCHEMBL17529277 0.96 MLNR (0.90) MLNRPTGS2KCNH2GHSRTUBB4A
Desacetylvinblastinehydrazide SCHEMBL29410063 0.96 MLNR (0.90) MLNRPTGS2KCNH2GHSRTUBB4A
Desacetylvinblastinehydrazide SCHEMBL29376353 0.96 MLNR (0.90) MLNRPTGS2KCNH2GHSRTUBB4A
Desacetylvinblastinehydrazide SCHEMBL15507828 0.96 MLNR (0.90) MLNRPTGS2KCNH2GHSRTUBB4A

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-9872918-B2 Hydroxyl-polymer-drug-protein conjugates MERSANA THERAPEUTICS, INC. (US) 2018-01-23 US disclosed