SCHEMBL4038598

SCHEMBL4038598

CCCC(C(=O)O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.61
PSEN2 P49810 2/20 0.61
APH1B Q8WW43 2/20 0.61
NCSTN Q92542 2/20 0.61
APH1A Q96BI3 2/20 0.61
PSENEN Q9NZ42 2/20 0.61
FFAR1 O14842 3/20 0.50
AKR1C3 P42330 6/20 0.47
AKR1C2 P52895 6/20 0.47
LDHA P00338 2/20 0.44
LDHB P07195 2/20 0.44
MMP2 P08253 2/20 0.43
MMP3 P08254 2/20 0.43
SLC6A4 P31645 1/20 0.43
MMP1 P03956 1/20 0.43
MMP7 P09237 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
GRM8 O00222 1/20 0.42
GRM4 Q14833 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
SCHEMBL4037426 0.95 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6472628 0.86 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5790829 0.86 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6472632 0.86 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4597386 0.86 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31584993 0.86 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31584425 0.85 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4037847 0.84 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1903665 0.82 AKR1C3 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1092814 0.82 NR1H2 (0.50) 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 2 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