SCHEMBL6512685

SCHEMBL6512685

CCC(CC)COc1cccc(CN(CCC(=O)O)Cc2cccc(C)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
BCHE P06276 3/20 0.42
MEP1B Q16820 1/20 0.41
MAOB P27338 1/20 0.40
HPGD P15428 1/20 0.40
PTGES O14684 1/20 0.40

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
SCHEMBL6511846 0.90 FFAR1 (0.44) FFAR1MEN1KMT2ABCHEMEP1B
SCHEMBL6511170 0.89 FFAR1 (0.40) FFAR1BCHEMEP1B
SCHEMBL6509451 0.89 NR1H3 (0.41) FFAR1BCHEMEP1B
SCHEMBL6510094 0.88 PPARG (0.39) FFAR1BCHEMEP1BPTGES
SCHEMBL6533464 0.86 POLB (0.40) BCHEMEP1B
SCHEMBL6516580 0.84 CYP2D6 (0.50) FFAR1MEP1BHPGD
SCHEMBL6509306 0.84 NR1H3 (0.40) FFAR1BCHEMEP1B
SCHEMBL6515110 0.82 HPGD (0.47) FFAR1MEN1KMT2AMEP1BHPGD
SCHEMBL6515065 0.82 TSHR (0.55) FFAR1PTGES
SCHEMBL6512310 0.80 PTGES (0.43) FFAR1BCHEMEP1BPTGES

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