SCHEMBL7100333

SCHEMBL7100333

O=C(O)C(CC(C(=O)O)(C(=O)O)C(=O)O)C1CCCCC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
ALDH1A1 P00352 6/20 0.37
POLB P06746 3/20 0.37
KDM4E B2RXH2 4/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA1 P00915 4/20 0.35
MCL1 Q07820 1/20 0.34
ACE P12821 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
OPRK1 P41145 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL1255171 0.79 CYP2D6 (0.56) CYP2D6ALDH1A1POLBKDM4EHPGD
SCHEMBL8433569 0.74 CYP2D6 (0.54) CYP2D6ALDH1A1POLBKDM4EHPGD
SCHEMBL1919199 0.73 CYP2D6 (0.50) CYP2D6ALDH1A1POLBKDM4EHPGD
SCHEMBL9935208 0.72 CYP2D6 (0.39) CYP2D6ALDH1A1POLBKDM4EHPGD
SCHEMBL11091265 0.72 CYP2D6 (0.44) CYP2D6ALDH1A1POLBKDM4EHPGD
SCHEMBL6287504 0.71 CYP2D6 (0.43) CYP2D6ALDH1A1POLBKDM4EHPGD
SCHEMBL7886807 0.69 CYP2D6 (0.42) CYP2D6ALDH1A1POLBKDM4EHPGD
SCHEMBL7886228 0.69 CYP2D6 (0.42) CYP2D6ALDH1A1POLBKDM4EHPGD
SCHEMBL7888054 0.69 CYP2D6 (0.42) CYP2D6ALDH1A1POLBKDM4EHPGD
SCHEMBL7885308 0.69 CYP2D6 (0.42) CYP2D6ALDH1A1POLBKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086161-B1 POLYAMIDES WITH HIGH FLUIDITY, METHOD FOR MAKING SAME, COMPOSITIONS COMPRISING SAID POLYAMIDES RHODIA ENG PLASTICS SRL (IT) 2003-09-10 EP disclosed
US-6525166-B1 Copolymerization of polyfunctional acid with lactam, diacid, diamine and mixed acid amine monomers to form star polymer of controlled configuration; molding materials; optimal mech-anical and rheological properties; high filler levels NYLTECH ITALIA S.R.L. (IT) 2003-02-25 US disclosed
EP-1086161-A1 POLYAMIDES WITH HIGH FLUIDITY, METHOD FOR MAKING SAME, COMPOSITIONS COMPRISING SAID POLYAMIDE Rhodia Engineering Plastics Srl (IT) 2001-03-28 EP disclosed
WO-1999064496-A1 POLYAMIDES WITH HIGH FLUIDITY, METHOD FOR MAKING SAME, COMPOSITIONS COMPRISING SAID POLYAMIDE RHODIA ENGINEERING PLASTICS S.R.L. (IT) 1999-12-16 WO disclosed