SCHEMBL6509333

SCHEMBL6509333

CCCCc1ccc(CN(CCC(=O)O)Cc2cc(C)ccc2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PPARG P37231 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PLK1 P53350 2/20 0.40
S1PR1 P21453 3/20 0.40
CNR2 P34972 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
S1PR3 Q99500 2/20 0.39
S1PR2 O95136 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
TRPM2 O94759 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
SCHEMBL6532417 0.91 ALDH1A1 (0.43) FFAR1FFAR4ALDH1A1HPGDHSD17B10
SCHEMBL6511174 0.90 FFAR1 (0.43) FFAR1FFAR4PPARGNPC1RAB9A
SCHEMBL6511970 0.89 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10RAB9APLK1
SCHEMBL6510333 0.87 PLK1 (0.46) ALDH1A1PLK1S1PR1S1PR3S1PR2
SCHEMBL6511699 0.87 FFAR1 (0.43) FFAR1FFAR4ALDH1A1PPARGNPC1
SCHEMBL6511036 0.86 PPARA (0.42) FFAR1FFAR4ALDH1A1PPARGNPC1
SCHEMBL6515022 0.85 PLK1 (0.44) ALDH1A1PLK1S1PR1S1PR3S1PR2
SCHEMBL6509250 0.81 CSF1R (0.39) FFAR4PPARGNPC1RAB9A
SCHEMBL6510345 0.80 HDAC3 (0.49) FFAR1FFAR4
SCHEMBL6532562 0.79 THRB (0.38) FFAR1FFAR4ALDH1A1HPGDPPARG

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