SCHEMBL9112097

SCHEMBL9112097

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

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
KDM4E B2RXH2 2/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP1A1 P04798 5/20 0.54
CYP1B1 Q16678 5/20 0.54
CYP1A2 P05177 4/20 0.54
CYP2D6 P10635 4/20 0.54
MAOB P27338 9/20 0.49
MAOA P21397 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.47
PTPN1 P18031 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 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
SCHEMBL9110663 0.90 KDM4E (0.49) MAPTKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL9112362 0.90 ABCG2 (0.49) MAPTKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL9113041 0.88 KDM4E (0.58) MAPTKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL9111571 0.88 MAPT (0.57) MAPTKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL9112847 0.87 ALDH1A1 (0.63) MAPTKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL9113240 0.86 PTPN1 (0.48) MAPTKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL9113628 0.86 KDM4E (0.58) MAPTKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL9113637 0.86 KDM4E (0.58) MAPTKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL9115062 0.84 KDM4E (0.47) MAPTKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL9115164 0.84 MAPT (0.61) MAPTKDM4ELMNASMN1; SMN2ALDH1A1

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