SCHEMBL23955900

SCHEMBL23955900

CC/C=C/NC(=O)CCNC(=O)[C@H](CNC(=O)OC(C)(C)C)N1C(=O)C=CC1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.38
▸ CAPN1 P07384 1/20 0.35
▸ KDM4E B2RXH2 5/20 0.32
▸ POLB P06746 1/20 0.32
▸ SYK P43405 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ MALT1 Q9UDY8 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL25457897 0.76 AKT1 (0.43) AKT1CAPN1SYKTDP1CA1
SCHEMBL20729998 0.76 AKT1 (0.42) AKT1KDM4ESYKMALT1GAA
SCHEMBL31064794 0.76 AKT1 (0.42) AKT1CAPN1SYKCA1CA2
SCHEMBL17251637 0.73 AKT1 (0.44) AKT1KDM4ESYKMALT1GAA
SCHEMBL25457896 0.73 AKT1 (0.44) AKT1KDM4ESYKMALT1GAA
SCHEMBL19295842 0.73 AKT1 (0.41) AKT1KDM4ESYKTDP1MALT1
SCHEMBL15395841 0.73 AKT1 (0.44) AKT1KDM4ESYKMALT1GAA
SCHEMBL25495314 0.73 AKT1 (0.41) AKT1KDM4ESYKTDP1MALT1
SCHEMBL25495453 0.72 AKT1 (0.41) AKT1KDM4ESYKTDP1MALT1
SCHEMBL26272998 0.72 AKT1 (0.41) AKT1KDM4ESYKTDP1MALT1

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-3900742-A1 TARGETED DELIVERY OF TERTIARY AMINE-CONTAINING DRUG SUBSTANCES Seagen Inc. (US) 2021-10-27 — — EP disclosed
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