SCHEMBL9111707

SCHEMBL9111707

CCCCOc1ccc(C=CC(=O)c2ccc(OCCC)cc2)c(OCCCC)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 3/20 0.67
CYP1B1 Q16678 3/20 0.67
DPP4 P27487 3/20 0.59
PTPN1 P18031 1/20 0.59
ABCG2 Q9UNQ0 2/20 0.58
TNFRSF1A P19438 1/20 0.55
HDAC8 Q9BY41 3/20 0.53
BCHE P06276 4/20 0.52
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
ACHE P22303 2/20 0.51
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL9113779 0.97 CYP1A1 (0.70) CYP1A1CYP1B1DPP4PTPN1ABCG2
SCHEMBL9113474 0.94 CYP1A1 (0.66) CYP1A1CYP1B1DPP4PTPN1ABCG2
SCHEMBL9112387 0.94 CYP1A1 (0.62) CYP1A1CYP1B1DPP4PTPN1ABCG2
SCHEMBL7191470 0.91 ABCG2 (0.67) CYP1A1CYP1B1DPP4PTPN1ABCG2
SCHEMBL9115370 0.91 CYP1A1 (0.66) CYP1A1CYP1B1DPP4PTPN1ABCG2
SCHEMBL9115209 0.91 CYP1A1 (0.72) CYP1A1CYP1B1DPP4PTPN1ABCG2
SCHEMBL7188854 0.91 ABCG2 (0.67) CYP1A1CYP1B1DPP4PTPN1ABCG2
SCHEMBL9113143 0.91 TNFRSF1A (0.68) CYP1A1CYP1B1DPP4PTPN1ABCG2
SCHEMBL7178752 0.90 CYP1A1 (0.59) CYP1A1CYP1B1DPP4PTPN1ABCG2
SCHEMBL7185327 0.90 CYP1A1 (0.65) CYP1A1CYP1B1DPP4PTPN1ABCG2

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