SCHEMBL8085980

SCHEMBL8085980

CCCCCOc1cc(/C=C/C(=O)O)ccc1OC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.76
ALDH1A1 P00352 1/20 0.69
HPGD P15428 1/20 0.69
ALOX15 P16050 1/20 0.69
MAPK1 P28482 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
HSD17B10 Q99714 1/20 0.69
ACHE P22303 4/20 0.67
SNCA P37840 2/20 0.63
GAA P10253 1/20 0.63
KMT2A Q03164 1/20 0.63
CNR2 P34972 4/20 0.62
POLB P06746 1/20 0.60
AKR1C3 P42330 1/20 0.60
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA3 P07451 1/20 0.58
PKM P14618 1/20 0.58
CSNK2A2 P19784 1/20 0.58

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
SCHEMBL8085985 1.00 KDM4E (0.76) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL7966717 0.99 KDM4E (0.74) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL7966711 0.99 KDM4E (0.74) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL2282651 0.95 KDM4E (0.85) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL2282643 0.95 KDM4E (0.85) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL7966395 0.94 KDM4E (0.83) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL7966392 0.94 KDM4E (0.83) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL13168884 0.93 KDM4E (0.75) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL13168883 0.93 KDM4E (0.75) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL11231174 0.92 KDM4E (0.90) KDM4EALDH1A1HPGDALOX15MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6017919-A Compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2000-01-25 US disclosed
EP-0887340-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 1998-12-30 EP disclosed