SCHEMBL5666244

SCHEMBL5666244

CC(C)c1ccc(-c2cc(CCO)cc(-n3nc4ccc(C(F)(F)F)cc4n3)c2O)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCGR P47871 5/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CASR P41180 2/20 0.33
PDE2A O00408 3/20 0.33
GRM2 Q14416 1/20 0.32
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
PKM P14618 1/20 0.32
PTPN5 P54829 2/20 0.31
KDM4E B2RXH2 1/20 0.30
GPR139 Q6DWJ6 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
SCHEMBL5666878 0.94 GCGR (0.34) GCGRMEN1NPC1ALDH1A1POLB
SCHEMBL13700441 0.85 KDM4E (0.33) NPC1ALDH1A1POLBMAPTRAB9A
SCHEMBL13699378 0.81 PKM (0.36) NPC1ALDH1A1POLBMAPTRAB9A
SCHEMBL2637886 0.79 ALDH1A1 (0.35) MEN1NPC1ALDH1A1POLBMAPT
SCHEMBL13700724 0.79 KDM4E (0.35) ALDH1A1POLBPKMKDM4E
SCHEMBL13700459 0.77 POLB (0.35) ALDH1A1POLBMAPTPKMKDM4E
SCHEMBL13699510 0.76 KDM4E (0.40) ALDH1A1POLBPKMKDM4E
SCHEMBL5666240 0.76 PTPN5 (0.37) ALDH1A1POLBMAPTPTPN5KDM4E
SCHEMBL2638145 0.75 KDM4E (0.40) MEN1NPC1ALDH1A1POLBMAPT
SCHEMBL2638398 0.75 KDM4E (0.34) MEN1NPC1ALDH1A1POLBMAPT

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
EP-1175467-B1 STABILIZED ADHESIVE COMPOSITIONS CONTAINING HIGHLY SOLUBLE, RED-SHIFTED, PHOTOSTABLE BENZOTRIAZOLE UV ABSORBERS AND LAMINATED ARTICLES DERIVED THEREFROM CIBA SC HOLDING AG (CH) 2006-06-14 EP claimed