SCHEMBL9112809

SCHEMBL9112809

C=CCOc1ccc(C(=O)C=Cc2cc(OCC)c(CC=C)c(OCC)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
KDM4E B2RXH2 3/20 0.58
LMNA P02545 3/20 0.58
ALDH1A1 P00352 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
PTPN1 P18031 2/20 0.55
MAOB P27338 9/20 0.53
MAOA P21397 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.52
CYP1A1 P04798 2/20 0.51
CYP1B1 Q16678 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SLC5A1 P13866 1/20 0.48
SLC5A2 P31639 1/20 0.48

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
SCHEMBL9112806 1.00 MAPT (0.58) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9115002 0.94 MAPT (0.65) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9114996 0.94 MAPT (0.65) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9112433 0.91 ABCG2 (0.54) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9114950 0.91 ABCG2 (0.54) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9114048 0.90 MAPT (0.57) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9111974 0.90 ABCG2 (0.58) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9114046 0.90 MAPT (0.57) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9111969 0.90 ABCG2 (0.58) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL9113961 0.90 PTPN1 (0.64) 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