SCHEMBL6292406

SCHEMBL6292406

CC(C)(C)OC(=O)N(CCCCCCOCCCCc1ccccc1)CC(=O)c1ccc(O)c(C=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.44
▸ CDK1 P06493 1/20 0.38
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ NCOR2 Q9Y618 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ADRB2 P07550 1/20 0.35
▸ ADRB1 P08588 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ CHRM5 P08912 1/20 0.35
▸ ADRB3 P13945 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ FPR3 P25089 1/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ HTR1B P28222 1/20 0.35

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
SCHEMBL14030634 0.85 CDK1 (0.43) CDK1
SCHEMBL1411756 0.83 ADRB2 (0.45) L3MBTL1KDM4EADRB2ADRB1HTR1A
SCHEMBL1411754 0.83 ADRB2 (0.45) L3MBTL1KDM4EADRB2ADRB1HTR1A
SCHEMBL1411758 0.83 ADRB2 (0.45) L3MBTL1KDM4EADRB2ADRB1HTR1A
SCHEMBL10077369 0.83 CDK1 (0.42) CDK1KDM4EADRB2ADRB1HTR1A
SCHEMBL27926712 0.76 CDK1 (0.47) CDK1HDAC3HDAC1HDAC2NCOR2
SCHEMBL1416196 0.76 L3MBTL1 (0.57) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL4637738 0.71 ADRB2 (0.41) CDK1KDM4EADRB2ADRB1HTR1A
SCHEMBL13214263 0.71 ADRB2 (0.58) KDM4EADRB2ADRB1HTR1ACHRM5
SCHEMBL1411947 0.71 ADRB2 (0.58) KDM4EADRB2ADRB1HTR1ACHRM5

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-2005063777-A1 BENZYLPHOSPHATE AND SUBSTITUTED BENZYLPHOSPHATE PRODRUGS FOR THE TREATMENT OF PULMONARY INFLAMMATION CORUS PHARMA (US) 2005-07-14 — — WO disclosed
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