SCHEMBL6955133

SCHEMBL6955133

C/C(=C\CO)c1ccc2ccccc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
F2 P00734 1/20 0.48
PLG P00747 1/20 0.48
PLAU P00749 1/20 0.48
KLKB1 P03952 1/20 0.48
KLK1 P06870 1/20 0.48
PRSS1 P07477 1/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
EGFR P00533 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 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
SCHEMBL6955138 1.00 KDM4E (0.49) KDM4EHPGDSMN1; SMN2F2PLG
SCHEMBL6955143 1.00 KDM4E (0.49) KDM4EHPGDSMN1; SMN2F2PLG
SCHEMBL27533293 0.87 SMN1; SMN2 (0.50) KDM4EHPGDSMN1; SMN2F2PLG
SCHEMBL7668857 0.84 KDM4E (0.47) KDM4EHPGDSMN1; SMN2F2PLG
SCHEMBL7668864 0.84 KDM4E (0.47) KDM4EHPGDSMN1; SMN2F2PLG
SCHEMBL7668869 0.84 KDM4E (0.47) KDM4EHPGDSMN1; SMN2F2PLG
SCHEMBL6963090 0.84 CYP2A6 (0.49) KDM4EHPGDALDH1A1HSD17B10TDP1
SCHEMBL6963096 0.84 CYP2A6 (0.49) KDM4EHPGDALDH1A1HSD17B10TDP1
SCHEMBL6963084 0.84 CYP2A6 (0.49) KDM4EHPGDALDH1A1HSD17B10TDP1
SCHEMBL9953165 0.81 CYP1A2 (0.47) KDM4EHPGDSMN1; SMN2F2PLG

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
EP-0974584-B1 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-15 EP disclosed
US-6420375-B1 ANTITUMOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-16 US disclosed
EP-0974584-A1 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-01-26 EP disclosed