SCHEMBL7097765

SCHEMBL7097765

CNc1ccc(C(=O)C=Cc2c(OC)cc(OC)cc2OC)cc1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.81
MAOA P21397 2/20 0.71
TNFRSF1A P19438 2/20 0.56
AURKA O14965 1/20 0.54
KRAS P01116 1/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CHRNA7 P36544 1/20 0.50
CXCL12 P48061 1/20 0.49

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
SCHEMBL15155210 0.87 ABCG2 (0.94) ABCG2MAOATNFRSF1AAURKAKRAS
SCHEMBL15155219 0.87 ABCG2 (0.94) ABCG2MAOATNFRSF1AAURKAKRAS
SCHEMBL7802022 0.86 ABCG2 (0.80) ABCG2MAOAKRASMAPTLMNA
SCHEMBL7098094 0.86 ABCG2 (0.80) ABCG2MAOAKRASMAPTLMNA
SCHEMBL7100777 0.86 ABCG2 (0.67) ABCG2MAOAAURKAMAPTLMNA
SCHEMBL7097175 0.84 TNFRSF1A (0.80) ABCG2TNFRSF1AMAPTLMNAHPGD
SCHEMBL7186162 0.84 TNFRSF1A (0.80) ABCG2TNFRSF1AMAPTLMNAHPGD
SCHEMBL7102265 0.83 ABCG2 (0.86) ABCG2MAOATNFRSF1AAURKAKRAS
SCHEMBL4610668 0.83 ABCG2 (0.85) ABCG2MAOAAURKAMAPTLMNA
SCHEMBL4610666 0.83 ABCG2 (0.85) ABCG2MAOAAURKAMAPTLMNA

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
WO-2003097577-A1 CHEMICAL COMPOUND CONSISTING OF A NITROGENOUS CHALCONE DERIVATIVE, METHOD OF PRODUCING ONE SUCH CHEMICAL COMPOUND AND FILTERING AND/OR COSMETIC COMPOSITION CONTAINING SAME SYNTH'E163 (SOCIETE ANONYME) (FR) 2003-11-27 WO claimed
WO-2003097577-A1 CHEMICAL COMPOUND CONSISTING OF A NITROGENOUS CHALCONE DERIVATIVE, METHOD OF PRODUCING ONE SUCH CHEMICAL COMPOUND AND FILTERING AND/OR COSMETIC COMPOSITION CONTAINING SAME SYNTH'E163 (SOCIETE ANONYME) (FR) 2003-11-27 WO disclosed