SCHEMBL8745765

SCHEMBL8745765

Cc1c(CCO)c(=O)oc2c(O)c(O)ccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.65
GAA P10253 5/20 0.65
MAPT P10636 3/20 0.65
MCL1 Q07820 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
MAPK1 P28482 2/20 0.65
HTT P42858 2/20 0.65
JAK2 O60674 1/20 0.65
POLB P06746 1/20 0.65
PKM P14618 1/20 0.65
MPI P34949 1/20 0.65
BLM P54132 1/20 0.65
SHBG P04278 1/20 0.52
ALDH1A1 P00352 4/20 0.51
GLA P06280 1/20 0.51
HPGD P15428 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL19236367 0.86 KDM4E (0.79) KDM4EGAAMAPTMCL1SMN1; SMN2
SCHEMBL2791744 0.81 GAA (0.67) KDM4EGAAMAPTMCL1SMN1; SMN2
SCHEMBL31414410 0.81 KDM4E (0.61) KDM4EGAAMAPTMCL1SMN1; SMN2
SCHEMBL15285080 0.81 KDM4E (0.61) KDM4EGAAMAPTMCL1SMN1; SMN2
SCHEMBL2839705 0.79 KDM4E (1.00) KDM4EGAAMAPTMCL1SMN1; SMN2
SCHEMBL11216726 0.75 KDM4E (0.60) KDM4EGAAMAPTMCL1SMN1; SMN2
SCHEMBL28065536 0.75 KDM4E (0.79) KDM4EGAAMAPTMCL1SMN1; SMN2
SCHEMBL28065533 0.75 KDM4E (0.56) KDM4EGAAMAPTMCL1SMN1; SMN2
SCHEMBL28065504 0.75 ESR2 (0.56) KDM4EGAAMAPTMCL1SMN1; SMN2
SCHEMBL8745790 0.75 KDM4E (0.68) KDM4EGAAMAPTSMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0663911-B1 BENZOPYRANONES, METHOD OF PREPARING THEM AND THEIR USE SCHWABE WILLMAR GMBH & CO (DE) 1997-02-05 EP disclosed
US-5550129-A THERAPY FOR NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS WILLMAR SCHWABE GMBH & CO. (DE) 1996-08-27 US disclosed
EP-0663911-A1 BENZOPYRANONES, METHOD OF PREPARING THEM AND THEIR USE. SCHWABE WILLMAR GMBH & CO (DE) 1995-07-26 EP disclosed
WO-1994008985-A1 BENZOPYRANONES, METHOD OF PREPARING THEM AND THEIR USE DR. WILLMAR SCHWABE GMBH & CO. (DE) 1994-04-28 WO disclosed