SCHEMBL29255095

SCHEMBL29255095

COc1cc(C=C2Oc3cc(OCCCN(C)C)ccc3C2=O)ccc1Oc1ccc(C#N)cc1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.60
▸ PNLIP P16233 2/20 0.55
▸ CSNK2A2 P19784 1/20 0.50
▸ CSNK2B P67870 1/20 0.50
▸ CSNK2A1 P68400 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ KMT2A Q03164 1/20 0.50

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
SCHEMBL29254650 0.96 MAOB (0.59) MAOBPNLIPCSNK2A2CSNK2BCSNK2A1
SCHEMBL29254663 0.91 PNLIP (0.56) MAOBPNLIPCSNK2A2CSNK2BCSNK2A1
SCHEMBL29254631 0.90 PNLIP (0.61) MAOBPNLIPCSNK2A2CSNK2BCSNK2A1
SCHEMBL29255381 0.90 PNLIP (0.55) MAOBPNLIPCSNK2A2CSNK2BCSNK2A1
SCHEMBL29254651 0.89 ESRRB (0.57) MAOBPNLIPCSNK2A2CSNK2BCSNK2A1
SCHEMBL29254646 0.85 ACHE (0.55) MAOB
SCHEMBL29254648 0.84 ESRRA (0.57) MAOBPNLIPCSNK2A2CSNK2BCSNK2A1
SCHEMBL29254664 0.83 MEN1 (0.61) MAOBPNLIPCSNK2A2CSNK2BCSNK2A1
SCHEMBL29254644 0.83 CXCL12 (0.59) MAOBPNLIPCSNK2A2CSNK2BCSNK2A1
SCHEMBL29255027 0.83 ESRRA (0.56) MAOBPNLIPCSNK2A2CSNK2BCSNK2A1

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
CN-118307504-A Orange ketone derivative or analogue, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2024-07-09 — — CN disclosed
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