SCHEMBL11530331

SCHEMBL11530331

C/C(=C/C(=O)Nc1ccccc1)Nc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.63
MAPT P10636 7/20 0.61
GAA P10253 3/20 0.61
KDM4E B2RXH2 2/20 0.61
HPGD P15428 2/20 0.61
HSD17B10 Q99714 2/20 0.57
NAPRT Q6XQN6 1/20 0.57
TGM2 P21980 1/20 0.57
NPC1 O15118 7/20 0.56
RAB9A P51151 7/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
THRB P10828 1/20 0.56
DEGS1 O15121 1/20 0.56
CYP1A2 P05177 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAOB P27338 2/20 0.52
EGFR P00533 1/20 0.52
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52

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
SCHEMBL11530335 1.00 PTGS2 (0.63) PTGS2MAPTGAAKDM4EHPGD
SCHEMBL396577 0.86 SMN1; SMN2 (0.67) PTGS2MAPTGAAKDM4EHPGD
SCHEMBL1975201 0.86 MAPT (0.63) PTGS2MAPTGAAKDM4EHPGD
SCHEMBL317469 0.86 MAPT (0.63) PTGS2MAPTGAAKDM4EHPGD
SCHEMBL1975200 0.86 MAPT (0.63) PTGS2MAPTGAAKDM4EHPGD
SCHEMBL7679084 0.86 SMN1; SMN2 (0.67) PTGS2MAPTGAAKDM4EHPGD
SCHEMBL317471 0.86 MAPT (0.63) PTGS2MAPTGAAKDM4EHPGD
SCHEMBL317470 0.86 MAPT (0.63) PTGS2MAPTGAAKDM4EHPGD
SCHEMBL14482921 0.86 MAPT (0.63) PTGS2MAPTGAAKDM4EHPGD
SCHEMBL11651176 0.85 GAA (0.69) PTGS2MAPTGAAKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4152324-A FOR LACQUERS, PAINTS, AND PRINTING INKS CIBA-GEIGY CORPORATION (US) 1979-05-01 US disclosed