SCHEMBL6932287

SCHEMBL6932287

COc1c(C(=O)O)[nH]c(=O)n(C)c1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 4/20 0.33
ADORA2B P29275 3/20 0.33
HPGD P15428 3/20 0.33
ADORA3 P0DMS8 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 1/20 0.33
BRD4 O60885 1/20 0.32
MAPT P10636 2/20 0.31
TSHR P16473 2/20 0.31
LMNA P02545 2/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
MCL1 Q07820 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL28389515 0.74 JAK2 (0.46) ALDH1A1ADORA2BADORA3ADORA2AADORA1
SCHEMBL4381730 0.74 ADORA2B (0.34) ALDH1A1ADORA2BADORA3KMT2AADORA2A
SCHEMBL29048925 0.72 ADORA2B (0.35) ALDH1A1KDM4EADORA2BHPGDADORA3
SCHEMBL23923454 0.71 TYMP (0.35) KDM4EHPGDHSD17B10GAA
SCHEMBL6888253 0.68 JAK2 (0.52)
SCHEMBL11160084 0.67 MAPT (0.53) ALDH1A1ADORA2BHPGDADORA3HSD17B10
SCHEMBL1144956 0.67 ALDH1A1 (0.36) ALDH1A1KDM4EADORA2BHPGDADORA3
SCHEMBL3443608 0.67 HSD17B10 (0.45) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL14833537 0.64 L3MBTL1 (0.37) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL22032779 0.63 TP53 (0.38) ALDH1A1KDM4EHPGDHSD17B10MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1092038-A4 OCT1p, A PROTEIN HAVING HOMOLOGY TO THE ORGANIC AND SUGAR TRANSPORTER FAMILY OF PROTEINS, AND USES THEREOF MILLENNIUM PHARM INC (US) 2003-04-02 EP disclosed
EP-1092038-A1 OCT1p, A PROTEIN HAVING HOMOLOGY TO THE ORGANIC AND SUGAR TRANSPORTER FAMILY OF PROTEINS, AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2001-04-18 EP disclosed
WO-2000000633-A1 OCT1p, A PROTEIN HAVING HOMOLOGY TO THE ORGANIC AND SUGAR TRANSPORTER FAMILY OF PROTEINS, AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2000-01-06 WO disclosed