SCHEMBL9112874

SCHEMBL9112874

CCCCOc1ccc(C=CC(=O)c2ccc(OCCC)cc2)cc1OCCCC

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.67
MAPT P10636 4/20 0.63
LMNA P02545 4/20 0.63
KDM4E B2RXH2 3/20 0.63
CYP1A1 P04798 1/20 0.62
CYP1B1 Q16678 1/20 0.62
POLB P06746 2/20 0.60
BCHE P06276 5/20 0.57
TNFRSF1A P19438 1/20 0.56
ACHE P22303 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL9115182 0.97 ABCG2 (0.70) ABCG2MAPTLMNAKDM4ECYP1A1
SCHEMBL9113614 0.93 MAPT (0.70) ABCG2MAPTLMNAKDM4ECYP1A1
SCHEMBL9115761 0.89 ABCG2 (0.59) ABCG2MAPTLMNAKDM4ECYP1A1
SCHEMBL9114283 0.89 ABCG2 (0.59) ABCG2MAPTLMNAKDM4ECYP1A1
SCHEMBL9113047 0.88 KDM4E (0.82) ABCG2MAPTLMNAKDM4ECYP1A1
SCHEMBL9113057 0.88 KDM4E (0.82) ABCG2MAPTLMNAKDM4ECYP1A1
SCHEMBL9112434 0.88 ABCG2 (0.64) ABCG2MAPTLMNAKDM4ECYP1A1
SCHEMBL8148755 0.86 MAPT (0.78) ABCG2MAPTLMNAKDM4ECYP1A1
SCHEMBL8148751 0.86 MAPT (0.78) ABCG2MAPTLMNAKDM4ECYP1A1
SCHEMBL9110965 0.86 ABCG2 (0.61) 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