SCHEMBL774881

SCHEMBL774881

C=C(C)C(=O)OCC(O)Cn1ccnc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.42
CYP3A4 P08684 1/20 0.42
FDPS P14324 1/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
AGER Q15109 1/20 0.40

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
SCHEMBL21782931 0.84 RAB9A (0.40) RAB9AMEN1KMT2AKDM4EPOLB
SCHEMBL45907 0.83 EGLN3 (0.44) RAB9AMEN1KMT2ATSHR
SCHEMBL1071597 0.78 TBXAS1 (0.50) MEN1KMT2AKDM4ELMNA
SCHEMBL28822899 0.77 TSHR (0.45) RAB9AMEN1KMT2AKDM4ETSHR
SCHEMBL11733198 0.76 POLB (0.52) RAB9AMEN1KMT2AKDM4EPOLB
SCHEMBL13810715 0.76 POLB (0.52) RAB9AMEN1KMT2AKDM4EPOLB
SCHEMBL10015764 0.75 TBXAS1 (0.51) MEN1KMT2ATSHR
SCHEMBL10015771 0.74 TBXAS1 (0.54) MEN1KMT2AKDM4ETSHRLMNA
Bromide SCHEMBL16102048 0.74 TBXAS1 (0.50) MEN1KMT2ATSHR
SCHEMBL27241501 0.73 TBXAS1 (0.56) MEN1KMT2ATSHRLMNAMAPK1

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-20120067236-A1 RESIN COMPOSITION FOR LASER ENGRAVING, RELIEF PRINTING PLATE PRECURSOR FOR LASER ENGRAVING AND PROCESS FOR PRODUCING SAME, AND RELIEF PRINTING PLATE AND PROCESS FOR MAKING SAME FUJIFILM CORPORATION (JP) 2012-03-22 US disclosed