SCHEMBL6024145

SCHEMBL6024145

CCCCCCCCOc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(C)cc3C)n2)c(O)c1.CCCCCCCCOc1ccc(-c2nc(-c3ccc(OCCCCCCCC)cc3O)nc(-c3ccc(OCCCCCCCC)cc3O)n2)c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.49
PTPN11 Q06124 3/20 0.45
PLK1 P53350 3/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LTA4H P09960 1/20 0.43
CNR2 P34972 2/20 0.43
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL29363461 1.00 NR5A1 (0.49) NR5A1PTPN11PLK1MEN1NPC1
SCHEMBL29633159 1.00 NR5A1 (0.49) NR5A1PTPN11PLK1MEN1NPC1
SCHEMBL38944 1.00 NR5A1 (0.49) NR5A1PTPN11PLK1MEN1NPC1
SCHEMBL3893045 1.00 NR5A1 (0.49) NR5A1PTPN11PLK1MEN1NPC1
SCHEMBL1309485 1.00 NR5A1 (0.49) NR5A1PTPN11PLK1MEN1NPC1
SCHEMBL6029292 1.00 NR5A1 (0.49) NR5A1PTPN11PLK1MEN1NPC1
SCHEMBL45412 1.00 NR5A1 (0.49) NR5A1PTPN11PLK1MEN1NPC1
SCHEMBL78927 1.00 NR5A1 (0.49) NR5A1PTPN11PLK1MEN1NPC1
SCHEMBL22216823 1.00 NR5A1 (0.49) NR5A1PTPN11PLK1MEN1NPC1
SCHEMBL29354135 1.00 NR5A1 (0.49) NR5A1PTPN11PLK1MEN1NPC1

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
US-7105582-B2 Surface-active siloxane photoinitiators CIBA SPECIALTY CHEMICALS CORP. (US) 2006-09-12 US disclosed
US-6468958-B2 LIGHT, OXYGEN AND HEAT RESISTANCE CIBA SPECIALTY CHEMICALS CORPORATION 2002-10-22 US disclosed
EP-0744632-B1 Method for preparing ultraviolet radiation absorbing contact lenses JOHNSON & JOHNSON VISION PROD (US) 2002-10-16 EP disclosed