SCHEMBL9115664

SCHEMBL9115664

C=CCOc1ccc(C(=O)C=Cc2cc(OC(C)C)cc(OC(C)C)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 1/20 0.51
SLC5A2 P31639 1/20 0.51
PTPN1 P18031 1/20 0.50
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAOB P27338 8/20 0.47
MAOA P21397 1/20 0.47
FLT3 P36888 1/20 0.46
ABCG2 Q9UNQ0 2/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL9115658 1.00 SLC5A1 (0.51) SLC5A1SLC5A2PTPN1PPARGPPARD
SCHEMBL9115832 0.88 KDM4E (0.51) SLC5A1SLC5A2PTPN1KDM4EALDH1A1
SCHEMBL9115822 0.88 KDM4E (0.51) SLC5A1SLC5A2PTPN1KDM4EALDH1A1
SCHEMBL7189342 0.86 CYP1B1 (0.60) SLC5A1SLC5A2PTPN1KDM4EALDH1A1
SCHEMBL7189345 0.86 CYP1B1 (0.60) SLC5A1SLC5A2PTPN1KDM4EALDH1A1
SCHEMBL9113078 0.85 PTPN1 (0.53) SLC5A1SLC5A2PTPN1KDM4EALDH1A1
SCHEMBL9113085 0.85 PTPN1 (0.53) SLC5A1SLC5A2PTPN1KDM4EALDH1A1
SCHEMBL9113613 0.85 MAOB (0.62) SLC5A1SLC5A2KDM4EALDH1A1LMNA
SCHEMBL9113610 0.85 MAOB (0.62) SLC5A1SLC5A2KDM4EALDH1A1LMNA
SCHEMBL9112339 0.85 KDM4E (0.56) SLC5A1SLC5A2PTPN1KDM4EALDH1A1

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-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO claimed
WO-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO disclosed