SCHEMBL9300939

SCHEMBL9300939

COc1cccc(C=C2C=C(c3ccccc3)OC2=O)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.69
MEN1 O00255 9/20 0.69
ALDH1A1 P00352 8/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
PKM P14618 3/20 0.69
L3MBTL1 Q9Y468 2/20 0.69
MAPT P10636 11/20 0.61
ALOX5 P09917 1/20 0.51
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
KDM4E B2RXH2 4/20 0.49
POLB P06746 4/20 0.49
ALOX12 P18054 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
HPGD P15428 2/20 0.48
XBP1 P17861 1/20 0.46
RECQL P46063 2/20 0.46
LMNA P02545 1/20 0.44

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
SCHEMBL12267450 0.90 MAPT (0.75) KMT2AMEN1ALDH1A1SMN1; SMN2PKM
SCHEMBL197261 0.90 MAPT (0.75) KMT2AMEN1ALDH1A1SMN1; SMN2PKM
SCHEMBL197262 0.90 MAPT (0.75) KMT2AMEN1ALDH1A1SMN1; SMN2PKM
SCHEMBL24345234 0.85 MAPT (0.73) KMT2AMEN1ALDH1A1SMN1; SMN2PKM
SCHEMBL1753097 0.85 MAPT (0.73) KMT2AMEN1ALDH1A1SMN1; SMN2PKM
SCHEMBL16080106 0.81 MAPT (0.62) KMT2AMEN1ALDH1A1SMN1; SMN2PKM
SCHEMBL5803667 0.74 MAPT (0.47) KMT2AMEN1ALDH1A1SMN1; SMN2PKM
SCHEMBL19721178 0.74 MAPT (0.68) KMT2AMEN1ALDH1A1SMN1; SMN2PKM
SCHEMBL6799713 0.73 POLB (0.71) KMT2AMEN1ALDH1A1MAPTCRHBP
SCHEMBL6799710 0.73 POLB (0.71) KMT2AMEN1ALDH1A1MAPTCRHBP

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-5308852-A Cardiovascular disorders MERCK FROSST CANADA, INC. (CA) 1994-05-03 US disclosed
EP-0579304-A1 Heteroarylnaphthalenes as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1994-01-19 EP disclosed
WO-1994000444-A1 HETEROARYLNAPHTHALENES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1994-01-06 WO disclosed