SCHEMBL6663760

SCHEMBL6663760

CCCCOC(=O)NC(COCc1ccccc1C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CYP2C9 P11712 2/20 0.43
PYGL P06737 1/20 0.43
LMNA P02545 1/20 0.43
PPARG P37231 1/20 0.43
CTSK P43235 2/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 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
SCHEMBL7766101 0.86 PPARA (0.59) PPARAPPARGCTSKTDP1CTSL
SCHEMBL1447017 0.86 PPARA (0.59) PPARAPPARGCTSKTDP1CTSL
SCHEMBL5089560 0.86 CTSK (0.45) PPARASMN1; SMN2NPC1RAB9ALMNA
SCHEMBL5086244 0.86 CTSK (0.45) PPARASMN1; SMN2NPC1RAB9ALMNA
SCHEMBL5001274 0.80 PPARA (0.67) PPARALMNAPPARGCTSKCTSS
SCHEMBL5001271 0.80 PPARA (0.67) PPARALMNAPPARGCTSKCTSS
SCHEMBL16582478 0.79 CTSL (0.57) PPARACTSKCTSLCTSSSIRT2
SCHEMBL12879969 0.79 CTSL (0.57) PPARACTSKCTSLCTSSSIRT2
SCHEMBL15156902 0.78 SIRT2 (0.54) PPARACTSKTDP1CTSLCTSS
SCHEMBL12606001 0.77 EPHX1 (0.41) SMN1; SMN2NPC1RAB9ALMNAHPGD

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-2004014882-A2 PROTEASOME INHIBITORS : PEPTIDE DERIVATIVES HAVING C-TERMINAL HETEROARYL GROUPS AXYS PHARMACEUTICALS (US) 2004-02-19 WO disclosed