SCHEMBL8809073

SCHEMBL8809073

COc1cc2oc(=O)cc(C)c2cc1OCC1CO1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 5/20 0.49
HPGD P15428 4/20 0.49
HSD17B10 Q99714 4/20 0.49
MAPT P10636 3/20 0.49
GAA P10253 2/20 0.49
GLA P06280 1/20 0.49
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
ALPG P10696 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PGR P06401 8/20 0.47
MAPK1 P28482 2/20 0.45
NPC1 O15118 2/20 0.45

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
SCHEMBL606446 0.83 KDM4E (0.66) KDM4ECYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL30819091 0.83 KDM4E (0.66) KDM4ECYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL8808998 0.81 MCL1 (0.66) KDM4ECYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL8806359 0.81 MCL1 (0.66) KDM4ECYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL9367076 0.79 KDM4E (0.54) KDM4ECYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL8808189 0.78 KDM4E (0.53) KDM4ECYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL19183532 0.76 ALDH1A1 (0.62) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL591362 0.76 KDM4E (0.78) KDM4ECYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL9223153 0.75 KDM4E (0.59) KDM4ECYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL8807717 0.74 KDM4E (0.46) KDM4ECYP1A2CYP2C19ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0584091-B1 BENZOPYRANONES, METHODS OF MANUFACTURE AND USE THEREOF SCHWABE WILLMAR GMBH & CO (DE) 1997-01-15 EP claimed
US-5428038-A Administering for preventing or treating N-methyl-D-aspartate induced convulsions DR. WILLMAR SCHWABE GMBH & CO. (DE) 1995-06-27 US claimed
EP-0584091-A1 BENZOPYRANONES, METHODS OF MANUFACTURE AND USE THEREOF. SCHWABE WILLMAR GMBH & CO (DE) 1994-03-02 EP claimed
WO-1992018493-A1 BENZOPYRANONES, METHODS OF MANUFACTURE AND USE THEREOF DR. WILLMAR SCHWABE GMBH & CO. (DE) 1992-10-29 WO claimed
EP-0584091-B1 BENZOPYRANONES, METHODS OF MANUFACTURE AND USE THEREOF SCHWABE WILLMAR GMBH & CO (DE) 1997-01-15 EP disclosed
US-5428038-A Administering for preventing or treating N-methyl-D-aspartate induced convulsions DR. WILLMAR SCHWABE GMBH & CO. (DE) 1995-06-27 US disclosed
EP-0584091-A1 BENZOPYRANONES, METHODS OF MANUFACTURE AND USE THEREOF. SCHWABE WILLMAR GMBH & CO (DE) 1994-03-02 EP disclosed
WO-1992018493-A1 BENZOPYRANONES, METHODS OF MANUFACTURE AND USE THEREOF DR. WILLMAR SCHWABE GMBH & CO. (DE) 1992-10-29 WO disclosed