SCHEMBL6532728

SCHEMBL6532728

Cc1ccc(F)c(CN(CCC(=O)O)Cc2cccc(SC3CCCC3)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.39
FFAR4 Q5NUL3 5/20 0.35
RAB9A P51151 1/20 0.35
GLA P06280 1/20 0.34
NR1H4 Q96RI1 2/20 0.33
HTT P42858 1/20 0.33
PTGS2 P35354 2/20 0.33
MEP1B Q16820 2/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
ABCB11 O95342 1/20 0.32
PTGS1 P23219 1/20 0.32
PPARG P37231 1/20 0.32
NR1I3 Q14994 1/20 0.32

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
SCHEMBL6531739 0.91 ATM (0.38) ATMFFAR4NR1H4PTGS2MEP1B
SCHEMBL6516272 0.89 ATM (0.41) ATMFFAR4NR1H4MEP1B
SCHEMBL6511195 0.88 NPC1 (0.42) ATMFFAR4RAB9ANR1H4
SCHEMBL6508922 0.85 ATM (0.35) ATMFFAR4HTTMEP1B
SCHEMBL6509442 0.84 RAB9A (0.41) FFAR4RAB9AHTTPTGS2MEP1B
SCHEMBL6515075 0.83 GAA (0.41) RAB9AGLAHTT
SCHEMBL6507744 0.82 ATM (0.36) ATMFFAR4NR1H4MEP1B
SCHEMBL6513753 0.81 ENPP2 (0.40) FFAR4PTGS2MEP1BPTGS1
SCHEMBL6533581 0.80 POLB (0.38) ATMFFAR4MEP1BUBE2MDCUN1D1
SCHEMBL6533747 0.80 ATM (0.36) ATMRAB9AHTTPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005097100-A2 ANTIBACTERIAL AGENTS PROLYSIS LTD. (GB) 2005-10-20 WO disclosed