SCHEMBL8828006

SCHEMBL8828006

O=P1(O)OC2(C=Cc3ccccc3[C@H]2c2cccc3ccccc23)O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP2 O95551 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP3 P42574 1/20 0.36
HTT P42858 1/20 0.36
GALK1 P51570 1/20 0.36
BLM P54132 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EPHX1 P07099 1/20 0.36
IDO1 P14902 1/20 0.34

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
SCHEMBL5619561 1.00 GPR84 (0.36) GPR84KDM4ETDP2ALDH1A1MAPT
SCHEMBL8828017 1.00 GPR84 (0.36) GPR84KDM4ETDP2ALDH1A1MAPT
SCHEMBL11614041 0.80 KDM1A (0.38) KDM4ETDP2ALDH1A1MAPTHPGD
SCHEMBL5248281 0.80 KDM1A (0.38) KDM4ETDP2ALDH1A1MAPTHPGD
SCHEMBL7999943 0.77 KDM1A (0.39) KDM4ETDP2ALDH1A1MAPTHPGD
SCHEMBL2155195 0.76 KDM1A (0.43) KDM4ETDP2ALDH1A1MAPTHPGD
SCHEMBL8046676 0.75 EPHX1 (0.40) KDM4ETDP2ALDH1A1MAPTHPGD
SCHEMBL10476854 0.74 KDM1A (0.38) KDM4ETDP2ALDH1A1MAPTHPGD
SCHEMBL7775994 0.74 KDM1A (0.38) KDM4ETDP2ALDH1A1MAPTHPGD
SCHEMBL14931728 0.73 IDO1 (0.36) KDM4ETDP2ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5648540-A Amine preparation NPS PHARMACEUTICALS, INC. (US) 1997-07-15 US disclosed
US-5633404-A N-((R)-α-methyl-3-methoxybenzyl)-3-(2-chlorobenzene)propanamide NPS PHARMACEUTICALS, INC. (US) 1997-05-27 US disclosed
US-5504253-A Amine preparation NPS PHARMACEUTICALS, INC. (US) 1996-04-02 US disclosed
WO-1996002492-A1 METHOD OF MAKING A BENZYLPROPANAMINE NSP PHARMACEUTICALS, INC. (US) 1996-02-01 WO disclosed