SCHEMBL4040783

SCHEMBL4040783

CCCC(C(=O)O)c1ccc(-c2cnc(OC)nc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.44
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
FTO Q9C0B1 1/20 0.40
GCGR P47871 6/20 0.39
GRIN2B Q13224 1/20 0.39
CD274 Q9NZQ7 1/20 0.38
AKR1C3 P42330 4/20 0.38
AKR1C2 P52895 4/20 0.38
AKR1C1 Q04828 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
PTGS2 P35354 1/20 0.37
LMNA P02545 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 0.85 MKNK1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4037632 0.81 IDO1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13093763 0.79 FTO (0.41) MAP4K4FTOGCGRCD274
SCHEMBL7800828 0.78 SMN1; SMN2 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4039535 0.77 MKNK1 (0.42) SLC22A12LMNA
SCHEMBL4039532 0.76 POLB (0.48)
SCHEMBL11117318 0.76 AKR1C3 (0.56) AKR1C3AKR1C2AKR1C1PTGS1PTGS2
SCHEMBL16751961 0.76 KMT2A (0.43) AKR1C3AKR1C2AKR1C1PTGS1LMNA
SCHEMBL7798369 0.75 RARB (0.54) LMNA
SCHEMBL9268728 0.75 RARB (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