SCHEMBL6509250

SCHEMBL6509250

CCCCc1cccc(CN(CCC(=O)O)Cc2cc(C)ccc2C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.39
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
FFAR4 Q5NUL3 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
BCHE P06276 1/20 0.38
POLB P06746 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38

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
SCHEMBL6510860 0.91 RAB9A (0.41) PPARGPPARAPTGER1PTGER4PTGER3
SCHEMBL6511174 0.91 FFAR1 (0.43) PPARGPPARAPTGER1PTGER4PTGER3
SCHEMBL6532417 0.90 ALDH1A1 (0.43) PPARACYP3A4CYP2D6CYP2C9FFAR4
SCHEMBL6508452 0.90 NPC1 (0.44) CSF1RPPARGPPARAFFAR4NPC1
SCHEMBL6510672 0.88 RAB9A (0.42) PPARGPPARAPTGER1PTGER4PTGER3
SCHEMBL6511699 0.88 FFAR1 (0.43) PPARGPPARAFFAR4NPC1RAB9A
SCHEMBL6511036 0.87 PPARA (0.42) PPARGPPARAFFAR4NPC1RAB9A
SCHEMBL6531857 0.87 PPARA (0.42) PPARGPPARARAB9A
SCHEMBL6510333 0.86 PLK1 (0.46)
SCHEMBL6509334 0.86 PPARA (0.46) CSF1RPPARGPPARAFFAR4NPC1

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