SCHEMBL10900284

SCHEMBL10900284

COc1ccc(C2=C(OC(=O)c3ccccc3)CCC2=O)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.47
▸ GRM5 P41594 1/20 0.46
▸ MAPT P10636 7/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ HCRTR1 O43613 1/20 0.44
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ NPBWR1 P48145 1/20 0.40
▸ NFKB1 P19838 2/20 0.39
▸ NFKB2 Q00653 2/20 0.39
▸ RELA Q04206 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ LMNA P02545 3/20 0.39

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
SCHEMBL10898766 0.72 KMT2A (0.37) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL13258485 0.72 ESR1 (0.52) KMT2AMAPTMEN1NPC1SMN1; SMN2
SCHEMBL10902046 0.71 NPC1 (0.43) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL10732412 0.71 MAPK1 (0.40) KMT2AMAPTHCRTR1NPC1RAB9A
SCHEMBL27645792 0.70 KMT2A (0.49) KMT2AMAPTMEN1HSD17B10NPC1
SCHEMBL6675738 0.70 KMT2A (0.49) KMT2AGRM5MAPTMEN1HSD17B10
SCHEMBL10898897 0.70 NOTUM (0.41) KMT2AMAPTMEN1HSD17B10SMN1; SMN2
SCHEMBL10945305 0.69 GSK3B (0.43) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2921166 0.69 GRM5 (0.64) KMT2AGRM5MAPTMEN1HSD17B10
SCHEMBL13612569 0.69 KMT2A (0.77) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4632698-A MITICIDES; HERBICIDES UNION CARBIDE CORPORATION (US) 1986-12-30 — — US disclosed
US-4551547-A HERBICIDES UNION CARBIDE CORPORATION (US) 1985-11-05 — — US disclosed
Send feedback