SCHEMBL25132707

SCHEMBL25132707

CC(C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)CCCCN=[N+]=[N-]

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.41
▸ POLB P06746 1/20 0.39
▸ FOLH1 Q04609 5/20 0.38
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ NOD1 Q9Y239 4/20 0.36
▸ PLA2G2C Q5R387 1/20 0.36
▸ PLA2G10 O15496 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL23234319 0.89 ITGB3 (0.36) KMT2APOLBFOLH1CNR1CNR2
SCHEMBL23234317 0.89 ITGB3 (0.36) KMT2APOLBFOLH1CNR1CNR2
SCHEMBL24630327 0.89 KMT2A (0.38) KMT2APOLBCNR1CNR2NOD1
SCHEMBL29072128 0.85 KMT2A (0.35) KMT2APOLBFOLH1CNR1CNR2
SCHEMBL25132841 0.83 CNR1 (0.36) KMT2ACNR1CNR2HDAC8
SCHEMBL23352692 0.83 CNR2 (0.34) KMT2APOLBCNR1CNR2HDAC8
SCHEMBL18145473 0.83 KMT2A (0.41) KMT2APOLBCNR1CNR2HDAC8
SCHEMBL18161562 0.83 KMT2A (0.41) KMT2APOLBCNR1CNR2HDAC8
SCHEMBL14729303 0.83 KMT2A (0.41) KMT2APOLBCNR1CNR2HDAC8
SCHEMBL24630083 0.82 CTSK (0.38) KMT2APOLBNOD1

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
WO-2023054714-A1 REGIOSELECTIVE CONJUGATE OF FUNCTIONAL SUBSTANCE AND ANTIBODY OR SALT OF SAID CONJUGATE, AND ANTIBODY DERIVATIVE AND COMPOUND FOR USE IN PRODUCTION OF SAID CONJUGATE, OR SALT OF SAID ANTIBODY DERIVATIVE AND COMPOUND 味の素株式会社 2023-04-06 — — WO disclosed
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