SCHEMBL8995885

SCHEMBL8995885

C=CCc1cc(Cc2cccc(C(=O)c3ccccc3)c2O)c(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.33
PTPN2 P17706 2/20 0.33
PTPN6 P29350 2/20 0.33
CYP19A1 P11511 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 2/20 0.32
MEN1 O00255 5/20 0.32
KMT2A Q03164 5/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
ELANE P08246 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
CYP3A4 P08684 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PKM P14618 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL9603768 0.85 NPC1 (0.42) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL712510 0.79 NPC1 (0.43) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL508302 0.74 GABRA1 (0.53) MEN1KMT2AKDM4EMAPTHTT
SCHEMBL9323446 0.73 NPC1 (0.38) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL7698243 0.73 TNKS (0.46) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL27434347 0.73 NPC1 (0.33) NPC1RAB9APOLBLMNA
SCHEMBL7027917 0.72 THRB (0.36) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL11035864 0.72 NPC1 (0.36) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL28234016 0.72 NPC1 (0.40) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL8522548 0.71 AKR1C3 (0.53) PTPN1PTPN2PTPN6CYP19A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6321918-A None JP disclosed
EP-0613891-B1 2-(Benzotriazol-2-yl)-4-alkyl-6-(2-hydroxy-3-benzoylbenzyl)phenols and stabilized compositions CIBA GEIGY AG (CH) 1996-08-28 EP disclosed
EP-0613891-B1 2-(Benzotriazol-2-yl)-4-alkyl-6-(2-hydroxy-3-benzoylbenzyl)phenols and stabilized compositions CIBA GEIGY AG (CH) 1996-08-28 EP disclosed
JP-H06321918-A 2-(BENZOTRIAZOL-2-YL)-4-ALKYL-6-(2-HYDROXY-3-BENZOYL-BENZYL) PHENOL AND STABILIZED COMPOSITION CIBA GEIGY AG 1994-11-22 JP disclosed
EP-0613891-A1 2-(Benzotriazol-2-yl)-4-alkyl-6-(2-hydroxy-3-benzoylbenzyl)phenols and stabilized compositions CIBA-GEIGY AG (CH) 1994-09-07 EP disclosed
EP-0613891-A1 2-(Benzotriazol-2-yl)-4-alkyl-6-(2-hydroxy-3-benzoylbenzyl)phenols and stabilized compositions CIBA-GEIGY AG (CH) 1994-09-07 EP disclosed
EP-0613891-A1 2-(Benzotriazol-2-yl)-4-alkyl-6-(2-hydroxy-3-benzoylbenzyl)phenols and stabilized compositions CIBA-GEIGY AG (CH) 1994-09-07 EP disclosed