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SCHEMBL27047632

SCHEMBL27047632

CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCCSc5ccccc5)c([N+](=O)[O-])c4)cc3)CC2)C1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BAD Q92934 2/20 0.76
▸ BCL2 P10415 10/20 0.70
▸ BCL2L1 Q07817 9/20 0.70
▸ BCL2L11 O43521 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ MCL1 Q07820 1/20 0.62
▸ ASPH Q12797 1/20 0.62
▸ BCL2L2 Q92843 1/20 0.62

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
SCHEMBL22295609 0.89 BCL2L1 (0.76) BADBCL2BCL2L1BCL2L11CYP2C9
SCHEMBL25910224 0.87 BCL2 (0.73) BCL2
SCHEMBL1541222 0.86 BAD (1.00) BADBCL2BCL2L1BCL2L11CYP2C9
SCHEMBL15124648 0.86 BAD (0.70) BADBCL2BCL2L1BCL2L11CYP2C9
SCHEMBL1540926 0.86 BAD (0.85) BADBCL2BCL2L1BCL2L11CYP2C9
SCHEMBL15484588 0.86 BAD (0.85) BADBCL2BCL2L1BCL2L11CYP2C9
SCHEMBL1540976 0.85 BCL2L1 (0.75) BADBCL2BCL2L1BCL2L11MCL1
SCHEMBL2953264 0.84 BCL2L1 (0.80) BCL2BCL2L1MCL1
SCHEMBL25068094 0.83 BAD (0.84) BADBCL2BCL2L1BCL2L11CYP2C9
SCHEMBL19503717 0.83 BAD (0.81) BADBCL2BCL2L1BCL2L11CYP2C9

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-3934631-B1 CAROTENOIDS IN THE TREATMENT OF SENESCENCE-RELATED DISEASES GAT THERAPEUTICS S L (ES) 2024-01-24 — — EP disclosed
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