SCHEMBL6533581

SCHEMBL6533581

Cc1ccc(CN(CCC(=O)O)Cc2cccc(SC3CCCC3)c2)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ATM Q13315 1/20 0.35
HDAC3 O15379 5/20 0.35
HDAC4 P56524 5/20 0.35
HDAC1 Q13547 5/20 0.35
HDAC7 Q8WUI4 5/20 0.35
HDAC2 Q92769 5/20 0.35
HDAC10 Q969S8 5/20 0.35
HDAC11 Q96DB2 5/20 0.35
HDAC8 Q9BY41 5/20 0.35
HDAC6 Q9UBN7 5/20 0.35
HDAC9 Q9UKV0 5/20 0.35
HDAC5 Q9UQL6 5/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6516272 0.86 ATM (0.41) MEN1KMT2AATMALDH1A1SMN1; SMN2
SCHEMBL6511195 0.85 NPC1 (0.42) MEN1KMT2AATMALDH1A1SMN1; SMN2
SCHEMBL6509298 0.84 POLB (0.42) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL6507744 0.83 ATM (0.36) MEN1KMT2AATMALDH1A1SMN1; SMN2
SCHEMBL6531739 0.80 ATM (0.38) ATMALDH1A1MAPTFFAR4MEP1B
SCHEMBL6513425 0.80 FFAR4 (0.42) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL6532728 0.80 ATM (0.39) UBE2MDCUN1D1ATMFFAR4MEP1B
SCHEMBL6508922 0.79 ATM (0.35) ATMALDH1A1PKMFFAR4MEP1B
SCHEMBL6512666 0.79 SLC2A1 (0.46) FFAR4
SCHEMBL6510830 0.78 POLB (0.45) POLBMEN1KMT2AHDAC3HDAC4

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