SCHEMBL9115182

SCHEMBL9115182

CCCOc1ccc(C(=O)C=Cc2ccc(OCCC)c(OCCC)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.70
MAPT P10636 4/20 0.66
LMNA P02545 4/20 0.66
KDM4E B2RXH2 3/20 0.66
CYP1A1 P04798 1/20 0.65
CYP1B1 Q16678 1/20 0.65
POLB P06746 2/20 0.62
TNFRSF1A P19438 1/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 2/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAOB P27338 3/20 0.55
DPP4 P27487 2/20 0.55

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
SCHEMBL9112874 0.97 ABCG2 (0.67) ABCG2MAPTLMNAKDM4ECYP1A1
SCHEMBL9113614 0.95 MAPT (0.70) ABCG2MAPTLMNAKDM4ECYP1A1
SCHEMBL9115761 0.91 ABCG2 (0.59) ABCG2MAPTLMNAKDM4ECYP1A1
SCHEMBL9113047 0.90 KDM4E (0.82) ABCG2MAPTLMNAKDM4ECYP1A1
SCHEMBL9113057 0.90 KDM4E (0.82) ABCG2MAPTLMNAKDM4ECYP1A1
SCHEMBL9112373 0.87 ABCG2 (0.67) ABCG2MAPTLMNAKDM4ECYP1A1
SCHEMBL9113111 0.87 ABCG2 (0.63) ABCG2MAPTLMNAKDM4ECYP1A1
SCHEMBL9112014 0.87 ABCG2 (0.63) ABCG2MAPTLMNAKDM4ECYP1A1
SCHEMBL9113383 0.87 ABCG2 (0.63) ABCG2MAPTLMNAKDM4ECYP1A1
SCHEMBL9112018 0.87 ABCG2 (0.63) ABCG2MAPTLMNAKDM4ECYP1A1

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