SCHEMBL7097238

SCHEMBL7097238

COc1cc(OC)c(OC)cc1C=CC(=O)c1cccc(N)c1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.74
ABCG2 Q9UNQ0 1/20 0.69
SNCA P37840 2/20 0.59
DPP4 P27487 2/20 0.56
NR1H4 Q96RI1 1/20 0.55
NFE2L2 Q16236 1/20 0.55
CTSL P07711 1/20 0.54
CTSB P07858 1/20 0.54
NPC1 O15118 2/20 0.53
MAPT P10636 2/20 0.53
RAB9A P51151 2/20 0.53
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LMNA P02545 1/20 0.52
BCHE P06276 1/20 0.52
ABCB1 P08183 2/20 0.52
APP P05067 1/20 0.51

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
SCHEMBL7096880 0.86 NR1H4 (0.74) PTPN1NR1H4NFE2L2NPC1MAPT
SCHEMBL22721804 0.86 ABCG2 (0.71) PTPN1ABCG2NR1H4NPC1MAPT
SCHEMBL29395318 0.86 CTSL (0.75) PTPN1ABCG2SNCADPP4NR1H4
SCHEMBL20563578 0.86 CTSL (0.75) PTPN1ABCG2SNCADPP4NR1H4
SCHEMBL7097534 0.86 ABCG2 (0.71) PTPN1ABCG2NR1H4NPC1MAPT
SCHEMBL29391850 0.86 ABCG2 (0.71) PTPN1ABCG2NR1H4NPC1MAPT
SCHEMBL7099971 0.86 MAPT (0.74) PTPN1ABCG2CTSLCTSBNPC1
SCHEMBL30063805 0.85 PTPN1 (1.00) PTPN1DPP4
SCHEMBL28384501 0.85 PTPN1 (1.00) PTPN1DPP4
SCHEMBL21643306 0.85 NR1H4 (0.76) PTPN1ABCG2SNCADPP4NR1H4

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