SCHEMBL7983954

SCHEMBL7983954

COc1cc2[nH]c(=O)c3cc(OC)c(OC)cc3c2cc1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.70
KDM4E B2RXH2 5/20 0.70
HPGD P15428 4/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
GRIN2D O15399 2/20 0.67
GRIN3B O60391 2/20 0.67
GRIN1 Q05586 2/20 0.67
GRIN2A Q12879 2/20 0.67
GRIN2B Q13224 2/20 0.67
GRIN2C Q14957 2/20 0.67
GRIN3A Q8TCU5 2/20 0.67
SRC P12931 1/20 0.52
PDE3B Q13370 4/20 0.50
PDE3A Q14432 4/20 0.50
MPO P05164 2/20 0.50
XDH P47989 2/20 0.50
HTT P42858 2/20 0.49
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
HSD17B10 Q99714 2/20 0.48

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
SCHEMBL7980984 0.85 KDM4E (0.62) ALDH1A1KDM4EHPGDSMN1; SMN2GRIN2D
SCHEMBL31195781 0.83 KDM4E (0.61) ALDH1A1KDM4EHPGDSMN1; SMN2GRIN2D
SCHEMBL7983948 0.83 KDM4E (0.61) ALDH1A1KDM4EHPGDSMN1; SMN2GRIN2D
SCHEMBL2895978 0.82 KDM4E (1.00) ALDH1A1KDM4EHPGDSMN1; SMN2GRIN2D
SCHEMBL1292034 0.81 GRIN2D (1.00) ALDH1A1KDM4EHPGDSMN1; SMN2GRIN2D
SCHEMBL27807136 0.77 GRIN2D (0.56) ALDH1A1KDM4EHPGDSMN1; SMN2GRIN2D
SCHEMBL27804543 0.77 PDE3B (0.61) ALDH1A1KDM4EHPGDSMN1; SMN2GRIN2D
SCHEMBL19147135 0.77 PDE3B (0.61) ALDH1A1KDM4EHPGDSMN1; SMN2GRIN2D
SCHEMBL2553439 0.77 GRIN2D (0.51) ALDH1A1KDM4EHPGDSMN1; SMN2GRIN2D
SCHEMBL7985105 0.77 GRIN2D (0.51) ALDH1A1KDM4EHPGDSMN1; SMN2GRIN2D

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
US-6194439-B1 ANTICANCER AGENT PFIZER INC. 2001-02-27 US disclosed
EP-0586608-A1 TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS PFIZER INC. (US) 1994-03-16 EP disclosed
WO-1992021660-A1 TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS PFIZER, INC. (US) 1992-12-10 WO disclosed