SCHEMBL9112502

SCHEMBL9112502

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 1/20 0.50
SLC5A2 P31639 1/20 0.50
PTPN1 P18031 1/20 0.49
KDM4E B2RXH2 3/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
FLT3 P36888 1/20 0.48
MAOB P27338 9/20 0.47
MAOA P21397 1/20 0.46
PPARA Q07869 1/20 0.46
KRAS P01116 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
HPGD P15428 1/20 0.45
CYP1A1 P04798 1/20 0.45
CYP1B1 Q16678 1/20 0.45

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
SCHEMBL9113775 0.90 KDM4E (0.50) SLC5A1SLC5A2PTPN1KDM4ELMNA
SCHEMBL9113782 0.90 KDM4E (0.50) SLC5A1SLC5A2PTPN1KDM4ELMNA
SCHEMBL9114466 0.90 KDM4E (0.58) SLC5A1SLC5A2PTPN1KDM4ELMNA
SCHEMBL9111571 0.89 MAPT (0.57) SLC5A1SLC5A2PTPN1KDM4ELMNA
SCHEMBL9113656 0.88 PTPN1 (0.53) SLC5A1SLC5A2PTPN1KDM4ELMNA
SCHEMBL9113665 0.88 PTPN1 (0.53) SLC5A1SLC5A2PTPN1KDM4ELMNA
SCHEMBL9112898 0.88 KDM4E (0.56) SLC5A1SLC5A2PTPN1KDM4ELMNA
SCHEMBL9112901 0.88 KDM4E (0.56) SLC5A1SLC5A2PTPN1KDM4ELMNA
SCHEMBL9116020 0.88 MAPT (0.64) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL9113240 0.88 PTPN1 (0.48) SLC5A1SLC5A2PTPN1KDM4ELMNA

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