SCHEMBL4037632

SCHEMBL4037632

CCCC(C(=O)O)c1ccc(-c2ccc(C)nc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.43
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
PTGS2 P35354 2/20 0.39
AKR1C3 P42330 3/20 0.39
AKR1C2 P52895 3/20 0.39
PTGES O14684 1/20 0.37
PSIP1 O75475 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL4036680 0.82 MKNK1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4039532 0.82 POLB (0.48) PSIP1
SCHEMBL4040783 0.81 MAP4K4 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7800828 0.78 SMN1; SMN2 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9268728 0.77 RARB (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4269790 0.76 POLB (0.51) PSIP1
SCHEMBL4213889 0.75 MKNK1 (0.44)
SCHEMBL296499 0.75 GAA (0.41) PTGS2AKR1C3AKR1C2CYP1A2CYP3A4
SCHEMBL7798369 0.75 RARB (0.54)
SCHEMBL9265764 0.74 RARB (0.63) 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