SCHEMBL7097768

SCHEMBL7097768

CNc1cccc(C(=O)C=Cc2cc(OC)ccc2OC)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.68
MAPT P10636 5/20 0.61
LMNA P02545 3/20 0.61
KDM4E B2RXH2 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
ATM Q13315 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
HPGD P15428 3/20 0.59
ALDH1A1 P00352 3/20 0.59
GAA P10253 2/20 0.59
GLA P06280 1/20 0.59
PDE4A P27815 1/20 0.58
PDE4B Q07343 1/20 0.58
PDE4C Q08493 1/20 0.58
PDE4D Q08499 1/20 0.58
HTT P42858 1/20 0.58
JUN P05412 1/20 0.58
NFKB1 P19838 1/20 0.58
POLB P06746 2/20 0.57
NPC1 O15118 1/20 0.57

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
SCHEMBL7097770 0.91 MAPT (0.71) ABCG2MAPTLMNAKDM4ESMN1; SMN2
SCHEMBL7188219 0.87 ABCG2 (0.79) ABCG2MAPTLMNAKDM4ESMN1; SMN2
SCHEMBL7188211 0.87 ABCG2 (0.79) ABCG2MAPTLMNAKDM4ESMN1; SMN2
SCHEMBL7100718 0.86 ABCG2 (0.66) ABCG2MAPTLMNASMN1; SMN2ATM
SCHEMBL7099958 0.86 ABCG2 (0.82) ABCG2MAPTLMNAKDM4ESMN1; SMN2
SCHEMBL7099543 0.86 NR1H4 (0.70) MAPTLMNAKDM4ESMN1; SMN2ATM
SCHEMBL7180829 0.83 ABCG2 (0.86) ABCG2MAPTLMNAKDM4ESMN1; SMN2
SCHEMBL7180833 0.83 ABCG2 (0.86) ABCG2MAPTLMNAKDM4ESMN1; SMN2
SCHEMBL7097596 0.83 ABCG2 (0.66) ABCG2MAPTLMNASMN1; SMN2ATM
SCHEMBL7097534 0.83 ABCG2 (0.71) ABCG2MAPTLMNAKDM4ESMN1; SMN2

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