SCHEMBL9202989

SCHEMBL9202989

CCCCOc1ccc(CCC)cc1C=CC(=O)c1ccc(C(=O)N(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.48
PTPN1 P18031 1/20 0.48
MAPT P10636 3/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
ABCG2 Q9UNQ0 3/20 0.44
BCHE P06276 4/20 0.42
ACHE P22303 2/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
CAPN1 P07384 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
LMNA P02545 2/20 0.41
ATM Q13315 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7192307 0.94 MAPT (0.47) DPP4PTPN1MAPTNPC1ALDH1A1
SCHEMBL7184649 0.92 MAPT (0.49) DPP4PTPN1MAPTNPC1ALDH1A1
SCHEMBL7190280 0.89 ABCG2 (0.55) DPP4PTPN1MAPTNPC1ALDH1A1
SCHEMBL9197571 0.89 PTPN1 (0.47) DPP4PTPN1MAPTABCG2
SCHEMBL7189298 0.87 DPP4 (0.47) DPP4PTPN1MAPTALDH1A1ABCG2
SCHEMBL9200658 0.87 DPP4 (0.50) DPP4PTPN1MAPTALDH1A1ABCG2
SCHEMBL7192313 0.86 MAPT (0.45) DPP4PTPN1MAPTNPC1ALDH1A1
SCHEMBL7186182 0.86 PTPN1 (0.48) DPP4PTPN1ABCG2BCHEACHE
SCHEMBL9198648 0.86 MAPT (0.45) DPP4PTPN1MAPTNPC1ALDH1A1
SCHEMBL9206831 0.85 MAPT (0.43) DPP4PTPN1MAPTNPC1ALDH1A1

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
EP-0634927-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-01-25 EP disclosed
WO-1993017671-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1993-09-16 WO disclosed