SCHEMBL10583102

SCHEMBL10583102

COc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3)cc2)cc1OC

nearest known ligand 0.84

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 5/20 0.84
ABCG2 Q9UNQ0 5/20 0.81
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
LMNA P02545 1/20 0.71
MAPT P10636 1/20 0.71
ATM Q13315 1/20 0.71
NPSR1 Q6W5P4 1/20 0.71
ABCB1 P08183 1/20 0.71
HSP90AA1 P07900 1/20 0.67
DNMT1 P26358 1/20 0.67
PDE4A P27815 1/20 0.62
PDE4B Q07343 1/20 0.62
PDE4C Q08493 1/20 0.62
PDE4D Q08499 1/20 0.62
CYP1A1 P04798 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP1B1 Q16678 1/20 0.62
RELA Q04206 1/20 0.61

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
SCHEMBL10583111 1.00 TNFRSF1A (0.84) TNFRSF1AABCG2MEN1KMT2ALMNA
3',4'-Dimethoxychalcone SCHEMBL12485314 0.92 TNFRSF1A (1.00) TNFRSF1AABCG2MEN1KMT2ALMNA
3',4'-Dimethoxychalcone SCHEMBL12485318 0.92 TNFRSF1A (1.00) TNFRSF1AABCG2MEN1KMT2ALMNA
SCHEMBL8461354 0.87 ABCG2 (0.88) TNFRSF1AABCG2MEN1KMT2ALMNA
SCHEMBL8461357 0.87 ABCG2 (0.88) TNFRSF1AABCG2MEN1KMT2ALMNA
SCHEMBL10583536 0.87 TNFRSF1A (0.80) TNFRSF1AABCG2MEN1KMT2ALMNA
SCHEMBL10583539 0.87 TNFRSF1A (0.80) TNFRSF1AABCG2MEN1KMT2ALMNA
SCHEMBL2458577 0.86 ABCG2 (1.00) TNFRSF1AABCG2MEN1KMT2ALMNA
SCHEMBL2458579 0.86 ABCG2 (1.00) TNFRSF1AABCG2MEN1KMT2ALMNA
SCHEMBL8977129 0.85 ABCG2 (0.88) TNFRSF1AABCG2MEN1KMT2ALMNA

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
EP-0307762-A1 Acrylic-acid amides and their use as fungicides F. HOFFMANN-LA ROCHE AG (CH) 1989-03-22 EP disclosed