SCHEMBL23315749

SCHEMBL23315749

CC(C)(CN1C(=O)C=CC1=O)OCCC(C)(C)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ BLM P54132 1/20 0.30
▸ WRN Q14191 1/20 0.30
▸ HIF1A Q16665 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
SCHEMBL19303504 0.89 MGLL (0.32) —
SCHEMBL20072778 0.84 ALDH1A1 (0.36) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL22906189 0.83 AKT1 (0.30) —
SCHEMBL22906152 0.83 AKT1 (0.30) —
SCHEMBL18659982 0.81 HPGD (0.36) HPGD
SCHEMBL18868578 0.80 — —
SCHEMBL21558321 0.80 — —
SCHEMBL21067598 0.80 ALDH1A1 (0.33) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL20283890 0.80 — —
SCHEMBL24246265 0.79 CYP1A2 (0.36) ALDH1A1CYP1A2HPGDCYP2C19BLM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3086815-B1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES ZYMEWORKS INC (CA) 2022-02-09 — — EP disclosed
EP-3194421-B1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS INC (CA) 2021-11-03 — — EP disclosed
EP-3423105-B1 ERIBULIN-BASED ANTIBODY-DRUG CONJUGATES AND METHODS OF USE EISAI R&D MAN CO LTD (JP) 2021-05-05 — — EP disclosed
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