SCHEMBL6510672

SCHEMBL6510672

CCCCCc1cccc(CN(CCC(=O)O)Cc2cc(C)ccc2F)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.42
PPARA Q07869 3/20 0.41
PPARG P37231 2/20 0.41
PLK1 P53350 2/20 0.38
S1PR1 P21453 1/20 0.37
PTGER1 P34995 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37

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
SCHEMBL6531857 0.99 PPARA (0.42) RAB9APPARAPPARGPLK1S1PR1
SCHEMBL6510860 0.97 RAB9A (0.41) RAB9APPARAPPARGPTGER1PTGER4
SCHEMBL6515022 0.90 PLK1 (0.44) PLK1S1PR1
SCHEMBL6511699 0.90 FFAR1 (0.43) RAB9APPARAPPARGPLK1S1PR1
SCHEMBL6511036 0.89 PPARA (0.42) RAB9APPARAPPARGPLK1S1PR1
SCHEMBL6509250 0.88 CSF1R (0.39) RAB9APPARAPPARGPTGER1PTGER4
SCHEMBL6509334 0.88 PPARA (0.46) RAB9APPARAPPARGS1PR1
SCHEMBL6511970 0.87 ALDH1A1 (0.42) RAB9APLK1S1PR1
SCHEMBL6510841 0.87 PPARA (0.48) PPARAPPARGS1PR1
SCHEMBL6511174 0.86 FFAR1 (0.43) RAB9APPARAPPARGS1PR1PTGER1

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