SCHEMBL9935208

SCHEMBL9935208

O=C1CCCCC1C(C(=O)O)C(C(=O)O)(C(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.39
CA1 P00915 4/20 0.38
MCL1 Q07820 1/20 0.37
ALDH1A1 P00352 5/20 0.36
POLB P06746 3/20 0.36
KDM4E B2RXH2 3/20 0.36
L3MBTL1 Q9Y468 2/20 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
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KMT2A Q03164 2/20 0.33
ACE P12821 1/20 0.33
PTGS1 P23219 1/20 0.33

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
SCHEMBL11091265 0.76 CYP2D6 (0.44) CYP2D6CA1MCL1ALDH1A1POLB
SCHEMBL6287504 0.74 CYP2D6 (0.43) CYP2D6CA1MCL1ALDH1A1POLB
SCHEMBL7886191 0.73 CYP2D6 (0.42) CYP2D6CA1MCL1ALDH1A1POLB
SCHEMBL7886228 0.73 CYP2D6 (0.42) CYP2D6CA1MCL1ALDH1A1POLB
SCHEMBL3575118 0.73 CYP2D6 (0.42) CYP2D6CA1MCL1ALDH1A1POLB
SCHEMBL3571403 0.73 CYP2D6 (0.42) CYP2D6CA1MCL1ALDH1A1POLB
SCHEMBL7888054 0.73 CYP2D6 (0.42) CYP2D6CA1MCL1ALDH1A1POLB
SCHEMBL7885308 0.73 CYP2D6 (0.42) CYP2D6CA1MCL1ALDH1A1POLB
SCHEMBL7886807 0.73 CYP2D6 (0.42) CYP2D6CA1MCL1ALDH1A1POLB
SCHEMBL7886101 0.73 CYP2D6 (0.42) CYP2D6CA1MCL1ALDH1A1POLB

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-3016993-A1 POLYMERS WITH COMPLEX MACROMOLECULAR ARCHITECTURE HAVING FLAME-RETARDANT PROPERTIES Universita' degli Studi di Milano (IT) 2016-05-11 EP claimed
WO-2015000995-A1 POLYMERS WITH COMPLEX MACROMOLECULAR ARCHITECTURE HAVING FLAME-RETARDANT PROPERTIES UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2015-01-08 WO claimed
EP-2652007-A1 STAR- AND TREE-SHAPED BRANCHED POLYMERS HAVING FLAME-RETARDANT PROPERTIES Universita' degli Studi di Milano (IT) 2013-10-23 EP claimed
WO-2012080304-A1 STAR- AND TREE-SHAPED BRANCHED POLYMERS HAVING FLAME-RETARDANT PROPERTIES UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2012-06-21 WO claimed