SCHEMBL16495148

SCHEMBL16495148

COC(=O)C1C(=O)CCN(C(C)C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
CYP1A2 P05177 1/20 0.38
HIF1A Q16665 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
MMP2 P08253 1/20 0.30
ANPEP P15144 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
SCHEMBL16494769 0.83 CYP1A2 (0.34) BRD4CYP1A2HIF1A
SCHEMBL22207271 0.83 MAPT (0.37) MAPTSMN1; SMN2ALDH1A1
SCHEMBL16494534 0.79 BRD4 (0.44) BRD4CYP1A2HIF1AALDH1A1MMP2
SCHEMBL7022793 0.73 BRD4 (0.37) BRD4CYP1A2HIF1AL3MBTL1MAPT
SCHEMBL10818686 0.72 BRD4 (0.39) BRD4CYP1A2HIF1AL3MBTL1MAPT
SCHEMBL2597463 0.71 BRD4 (0.45) BRD4CYP1A2HIF1ACYP2C19ALDH1A1
SCHEMBL4475842 0.71 BRD4 (0.35) BRD4CYP1A2HIF1ASMN1; SMN2ALDH1A1
SCHEMBL8394065 0.70 FKBP1A (0.36) BRD4CYP1A2HIF1A
SCHEMBL6893472 0.69 L3MBTL1 (0.39) L3MBTL1MAPT
SCHEMBL18556394 0.69 L3MBTL1 (0.39) L3MBTL1MAPT

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-2526945-A1 New CRTH2 Antagonists Almirall, S.A. (ES) 2012-11-28 EP disclosed