SCHEMBL5164263

SCHEMBL5164263

CCCCCCCC(O)c1cc(Cc2cc(C(O)CCCCCCC)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPK1 P28482 2/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
MEN1 O00255 1/20 0.38
GMNN O75496 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX5 P09917 1/20 0.38
HPGD P15428 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MTOR P42345 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
SCHEMBL4444920 0.81 NPC1 (0.46) NPC1RAB9ALMNATSHRNFKB1
SCHEMBL26658058 0.80 NPC1 (0.40) NPC1RAB9ALMNATP53CYP3A4
SCHEMBL26658032 0.80 NPC1 (0.40) NPC1RAB9ALMNATP53CYP3A4
SCHEMBL26658047 0.80 NPC1 (0.40) NPC1RAB9ALMNATP53CYP3A4
SCHEMBL26657983 0.80 NPC1 (0.40) NPC1RAB9ALMNATP53CYP3A4
SCHEMBL26658070 0.80 NPC1 (0.40) NPC1RAB9ALMNATP53CYP3A4
SCHEMBL26657995 0.80 NPC1 (0.40) NPC1RAB9ALMNATP53CYP3A4
SCHEMBL26658001 0.80 NPC1 (0.40) NPC1RAB9ALMNATP53CYP3A4
SCHEMBL20363907 0.80 NPC1 (0.47) NPC1RAB9ALMNACYP1A2TSHR
SCHEMBL31267544 0.80 NPC1 (0.42) NPC1RAB9ALMNATP53CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086978-B1 ADDITIVE-CONTAINING MOLDED RESIN AND PROCESS FOR PRODUCING THE SAME TAKIRON CO (JP) 2007-04-11 EP claimed
US-6569531-B1 Adding multifunctional additive to thermoplastic polyester resin, allowing to react with molecules of resin which is in molten state, molding to produce additive-containing resin molded article TAKIRON CO., LTD. (JP) 2003-05-27 US claimed
EP-1086978-A1 ADDITIVE-CONTAINING MOLDED RESIN AND PROCESS FOR PRODUCING THE SAME Takiron Co., Ltd. (JP) 2001-03-28 EP claimed