SCHEMBL18923644

SCHEMBL18923644

C=C1CC[C@H]2C(CN3CCC(F)CC3)C(=O)O[C@@H]2[C@@H]2[C@H]1CC(=O)[C@]21CC[C@@](O)(CO)[C@@H]2[C@H]3OC(=O)C(CN4CCC(F)CC4)[C@@H]3CCC(=C)[C@@H]21

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL18506554 0.93 — —
SCHEMBL18923641 0.91 KMT2A (0.31) KMT2A
SCHEMBL18923697 0.85 — —
SCHEMBL18923565 0.84 — —
SCHEMBL18923679 0.83 — —
SCHEMBL18501599 0.77 KMT2A (0.34) KMT2A
SCHEMBL18506450 0.76 KMT2A (0.35) KMT2A
SCHEMBL18501600 0.70 KMT2A (0.32) KMT2A
SCHEMBL18506488 0.70 KMT2A (0.31) KMT2A
SCHEMBL18501583 0.69 KMT2A (0.34) KMT2A

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-9670226-B2 Sesquiterpenoids NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2017-06-06 — — US disclosed
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