SCHEMBL4037426

SCHEMBL4037426

CCCC(C(=O)O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.55
PSEN2 P49810 2/20 0.55
APH1B Q8WW43 2/20 0.55
NCSTN Q92542 2/20 0.55
APH1A Q96BI3 2/20 0.55
PSENEN Q9NZ42 2/20 0.55
LDHA P00338 1/20 0.47
LDHB P07195 1/20 0.47
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47
SLC6A4 P31645 1/20 0.46
GRM8 O00222 1/20 0.45
GRM4 Q14833 1/20 0.45
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
FFAR1 O14842 3/20 0.43
PDPK1 O15530 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL4038598 0.95 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31584993 0.90 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31584425 0.89 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1903665 0.86 AKR1C3 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1092814 0.86 NR1H2 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11463162 0.85 SLC6A4 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4597386 0.85 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL2763475 0.85 AKR1C3 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4037847 0.83 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28980634 0.82 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074093-A2 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-07-01 EP claimed
WO-2008023336-A2 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-02-28 WO claimed
EP-2074093-A2 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-07-01 EP disclosed
WO-2008023336-A2 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-02-28 WO disclosed