SCHEMBL7722310

SCHEMBL7722310

CC(c1ccccc1)(c1ccccc1)c1cc(CC(CCOCCOCCOCCOCCOCCOCCOCCC(Cc2cc(-n3nc4ccccc4n3)c(O)c(C(C)(c3ccccc3)c3ccccc3)c2)C(=O)O)C(=O)O)cc(-n2nc3ccccc3n2)c1O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.36
PTGES O14684 3/20 0.36
ALOX5 P09917 3/20 0.36
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 2/20 0.32
FOLH1 Q04609 3/20 0.32
PPARA Q07869 1/20 0.32
CPA3 P15088 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL4532741 0.86 PPARG (0.36) PPARGPTGESALOX5NPC1RAB9A
SCHEMBL15163389 0.84 PPARG (0.37) PPARGPTGESALOX5NPC1RAB9A
SCHEMBL672758 0.81 FOLH1 (0.39) PPARGPTGESALOX5NPC1RAB9A
SCHEMBL30772441 0.81 FOLH1 (0.39) PPARGPTGESALOX5NPC1RAB9A
SCHEMBL7522007 0.81 ALOX5 (0.41) PPARGALOX5NPC1RAB9AALDH1A1
SCHEMBL3861062 0.80 LIPC (0.36) PPARGPPARA
SCHEMBL2387522 0.78 FOLH1 (0.36) PPARGPTGESALOX5NPC1RAB9A
SCHEMBL547105 0.78 PTGES (0.41) PPARGPTGESALOX5NPC1RAB9A
SCHEMBL7692453 0.77 NPC1 (0.38) PPARGNPC1RAB9AALDH1A1POLB
SCHEMBL15422728 0.77 PTGES (0.36) PPARGPTGESALOX5NPC1RAB9A

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
US-6392056-B1 FOR THERMOPLASTIC RESINS CIBA SPECIALTY CHEMICAL CORPORATION 2002-05-21 US disclosed