SCHEMBL25518722

SCHEMBL25518722

CNCCOCCOCCN(C)C(=O)CCCCCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 16/20 0.49
▸ KDM4A O75164 13/20 0.49
▸ EPHX2 P34913 2/20 0.45
▸ KDM5A P29375 4/20 0.41
▸ PHF8 Q9UPP1 3/20 0.41
▸ KDM7A Q6ZMT4 1/20 0.41
▸ KDM2A Q9Y2K7 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL23616306 0.80 KDM4C (0.59) KDM4CKDM4AEPHX2KDM5APHF8
SCHEMBL22856154 0.79 MEN1 (0.33) —
SCHEMBL13951771 0.79 MEN1 (0.33) —
SCHEMBL20158521 0.78 EPHX2 (0.39) KDM4CKDM4AEPHX2KDM5APHF8
SCHEMBL22522789 0.76 KDM4C (0.41) KDM4CKDM4AKDM5APHF8ALDH1A1
SCHEMBL23054880 0.76 EPHX2 (0.62) KDM4CKDM4AEPHX2KDM5APHF8
SCHEMBL26383116 0.75 BLM (0.48) KDM4CKDM4AKDM5AALDH1A1
SCHEMBL22790826 0.75 MEN1 (0.35) —
SCHEMBL8339207 0.75 MEN1 (0.35) —
SCHEMBL26280261 0.75 MEN1 (0.35) —

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-2023078813-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS MERCK PATENT GMBH (DE) 2023-05-11 — — WO disclosed
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