SCHEMBL24276602

SCHEMBL24276602

O=C(CCCCn1cc(CCC(=O)ON2C(=O)CCC2=O)nn1)ON1C(=O)CCC1=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 8/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ DRD2 P14416 2/20 0.38
▸ DRD4 P21917 2/20 0.38
▸ DRD3 P35462 2/20 0.38
▸ FOLH1 Q04609 1/20 0.37
▸ GLA P06280 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ABCB1 P08183 1/20 0.36
▸ MAN2B1 O00754 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36

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
SCHEMBL24276658 0.95 EPHX2 (0.46) EP300EPHX2FOLH1L3MBTL1HDAC1
SCHEMBL22953229 0.89 POLB (0.37) EP300EPHX2DRD2DRD4DRD3
SCHEMBL24276640 0.85 L3MBTL1 (0.41) L3MBTL1HDAC1
SCHEMBL24276666 0.85 DRD2 (0.41) DRD2DRD4DRD3FOLH1ABCB1
SCHEMBL24276638 0.84 L3MBTL1 (0.42) EPHX2L3MBTL1HDAC1
SCHEMBL24276653 0.84 DGAT1 (0.45) EP300GLA
SCHEMBL24276655 0.84 DGAT1 (0.45) EP300GLA
SCHEMBL24276654 0.84 DGAT1 (0.45) EP300GLA
SCHEMBL16330540 0.83 MIF (0.43) EP300EPHX2L3MBTL1HDAC1
SCHEMBL11887044 0.81 FOLH1 (0.40) EP300EPHX2FOLH1GLAHDAC1

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-2022055877-A2 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-03-17 — — WO disclosed
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