SCHEMBL6249497

SCHEMBL6249497

CN(C(=O)O)c1c(O)ccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.50
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 3/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 2/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GLA P06280 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PTPN22 Q9Y2R2 1/20 0.46
MEN1 O00255 1/20 0.44
AKR1B1 P15121 2/20 0.43
LDHA P00338 1/20 0.43
ERN1 O75460 1/20 0.43
G6PD P11413 1/20 0.43
POLB P06746 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42

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
SCHEMBL11299779 0.81 NCEH1 (0.44) KMT2AHPGDALDH1A1HSD17B10MEN1
SCHEMBL25969096 0.81 PTPN1 (0.48) PTPN1KMT2AKDM4EGAAHPGD
SCHEMBL1695233 0.80 ALDH1A1 (0.52) KMT2AKDM4EGAAHPGDMAPT
SCHEMBL24953215 0.80 MAPT (0.55) PTPN1KMT2AKDM4EGAAHPGD
SCHEMBL235341 0.80 MAPT (0.55) PTPN1KMT2AKDM4EGAAHPGD
SCHEMBL7189951 0.79 KDM4E (0.46) PTPN1KMT2AKDM4EGAAHPGD
SCHEMBL29625695 0.77 PTPN1 (0.55) PTPN1KMT2AKDM4EGAAHPGD
SCHEMBL24952624 0.77 PTPN1 (0.55) PTPN1KMT2AKDM4EGAAHPGD
SCHEMBL1614544 0.73 SIGMAR1 (0.67) GAATDP1
SCHEMBL29666490 0.73 SIGMAR1 (0.67) GAATDP1

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-2005047234-A1 METHOD FOR PRODUCING CARBAMATE GROUP-CONTAINING (METH)ACRYLIC ESTERS Röhm GmbH & Co. KG (DE) 2005-05-26 WO disclosed