SCHEMBL4037847

SCHEMBL4037847

CCCC(C(=O)O)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.53
PSEN2 P49810 2/20 0.53
APH1B Q8WW43 2/20 0.53
NCSTN Q92542 2/20 0.53
APH1A Q96BI3 2/20 0.53
PSENEN Q9NZ42 2/20 0.53
PPARD Q03181 2/20 0.44
AKR1C3 P42330 3/20 0.42
AKR1C2 P52895 3/20 0.42
PPARA Q07869 1/20 0.41
TRPV3 Q8NET8 1/20 0.41
FFAR1 O14842 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
LDHA P00338 1/20 0.39
LDHB P07195 1/20 0.39

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 0.84 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4037426 0.83 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2272998 0.82 TRPV3 (0.44) PPARDPPARATRPV3KDM1AMAOB
SCHEMBL2272989 0.82 TRPV3 (0.44) PPARDPPARATRPV3KDM1AMAOB
SCHEMBL2272994 0.82 TRPV3 (0.44) PPARDPPARATRPV3KDM1AMAOB
SCHEMBL2274520 0.79 KDM1A (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2274526 0.79 KDM1A (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2274518 0.79 KDM1A (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4039535 0.78 MKNK1 (0.42) NPC1RAB9ASMN1; SMN2TP53
SCHEMBL2274058 0.78 TLR8 (0.43) 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