SCHEMBL9257319

SCHEMBL9257319

CC(=O)Oc1c(C(OC(C)=O)OC(C)=O)c(=O)n(Cc2ccccc2)c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.46
EDNRA P25101 2/20 0.46
ELANE P08246 1/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PLA2G2A P14555 5/20 0.43
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
MAOB P27338 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MITF O75030 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC1 Q13547 1/20 0.41

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
SCHEMBL9252678 0.92 ELANE (0.52) EDNRBELANEMAPTPOLBNPSR1
SCHEMBL9257528 0.86 ALDH1A1 (0.46) ELANEMAPTPLA2G2AKDM4EMITF
SCHEMBL9253426 0.85 KDM4E (0.55) ELANEMAPTKDM4EMITFALDH1A1
SCHEMBL9255291 0.79 KMT2A (0.46) MAPTPLA2G2AKDM4EMITFALDH1A1
SCHEMBL8389101 0.72 DYRK1A (0.52) EDNRBEDNRAELANEMAOBALDH1A1
SCHEMBL7676057 0.71 LTB4R (0.67) MAPTPOLBNPSR1PLA2G2ALTB4R
SCHEMBL5471793 0.70 KDM4E (0.61) MAPTKDM4EALDH1A1LMNA
SCHEMBL9270434 0.70 MEN1 (0.55) EDNRBEDNRAMAPTPOLBNPSR1
SCHEMBL9259645 0.69 MEN1 (0.65) EDNRBEDNRAMAPTPOLBNPSR1
SCHEMBL7422868 0.69 F10 (0.65) EDNRBEDNRAPLA2G2A

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
US-5382572-A Viricides SCHERING CORPORATION (US) 1995-01-17 US disclosed