SCHEMBL9114046

SCHEMBL9114046

C=CCOc1ccc(C(=O)/C=C/c2cc(OCC)c(CCC)c(OCC)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
KDM4E B2RXH2 3/20 0.57
LMNA P02545 3/20 0.57
ALDH1A1 P00352 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MAOB P27338 10/20 0.52
MAOA P21397 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.51
CYP1A1 P04798 2/20 0.50
CYP1B1 Q16678 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
PTPN1 P18031 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SLC5A1 P13866 1/20 0.47
SLC5A2 P31639 1/20 0.47

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
SCHEMBL9114048 1.00 MAPT (0.57) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9113196 0.93 ABCG2 (0.54) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9113828 0.93 ABCG2 (0.54) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9113073 0.91 KDM4E (0.60) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9113065 0.91 KDM4E (0.60) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9111931 0.91 MAPT (0.68) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9111936 0.91 MAPT (0.68) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9112809 0.90 MAPT (0.58) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9112806 0.90 MAPT (0.58) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9113218 0.89 KDM4E (0.49) MAPTKDM4ELMNAALDH1A1SMN1; 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-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