SCHEMBL6509334

SCHEMBL6509334

CCCCCc1cccc(CN(CCC(=O)O)Cc2cccc(C)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.46
PPARG P37231 2/20 0.46
CSF1R P07333 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
S1PR1 P21453 3/20 0.42
S1PR3 Q99500 2/20 0.41
DRD2 P14416 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
S1PR2 O95136 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL6510841 0.99 PPARA (0.48) PPARAPPARGCSF1RS1PR1S1PR3
SCHEMBL6508452 0.96 NPC1 (0.44) PPARAPPARGCSF1RNPC1POLB
SCHEMBL6509203 0.90 PPARA (0.48) PPARAPPARGS1PR1S1PR3DRD2
SCHEMBL6510672 0.88 RAB9A (0.42) PPARAPPARGRAB9AS1PR1
SCHEMBL6511699 0.88 FFAR1 (0.43) PPARAPPARGNPC1RAB9AFFAR4
SCHEMBL6511036 0.87 PPARA (0.42) PPARAPPARGNPC1RAB9AFFAR4
SCHEMBL6531857 0.87 PPARA (0.42) PPARAPPARGRAB9AS1PR1S1PR3
SCHEMBL6509240 0.87 PPARA (0.41) PPARAPPARGS1PR1S1PR3DRD2
SCHEMBL6509250 0.86 CSF1R (0.39) PPARAPPARGCSF1RNPC1POLB
SCHEMBL6511885 0.84 POLB (0.47) PPARAPPARGPOLB

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