SCHEMBL3849529

SCHEMBL3849529

CCCCCCCCOc1ccc(-c2nc(-c3ccc(OCCCCCCCC)cc3O)nc(-c3ccc(OCCCCCCCC)cc3O)n2)c(O)c1.Oc1ccccc1-c1ncncn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.48
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
ATM Q13315 2/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NR5A1 Q13285 1/20 0.46
PDK2 Q15119 2/20 0.46
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LTA4H P09960 1/20 0.41
CNR2 P34972 2/20 0.41
GPBAR1 Q8TDU6 1/20 0.40

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
SCHEMBL21817071 0.90 NR5A1 (0.55) PTPN11LMNAALDH1A1MAPTNR5A1
SCHEMBL3120916 0.90 NR5A1 (0.55) PTPN11LMNAALDH1A1MAPTNR5A1
SCHEMBL29801834 0.90 NR5A1 (0.55) PTPN11LMNAALDH1A1MAPTNR5A1
SCHEMBL31298797 0.90 NR5A1 (0.55) PTPN11LMNAALDH1A1MAPTNR5A1
SCHEMBL31298880 0.90 NR5A1 (0.55) PTPN11LMNAALDH1A1MAPTNR5A1
SCHEMBL6711621 0.90 NR5A1 (0.55) PTPN11LMNAALDH1A1MAPTNR5A1
SCHEMBL29973596 0.90 NR5A1 (0.55) PTPN11LMNAALDH1A1MAPTNR5A1
SCHEMBL28520504 0.90 NR5A1 (0.49) PTPN11LMNAALDH1A1MAPTHTT
Biphenyl SCHEMBL27847771 0.88 PTPN11 (0.52) PTPN11NR5A1PDK2MEN1KMT2A
SCHEMBL77484 0.86 NR5A1 (0.60) PTPN11ALDH1A1MAPTNR5A1MEN1

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-1814937-B1 ANTIMICROBIAL POLYMER COMPOSITIONS HAVING IMPROVED DISCOLORATION RESISTANCE CIBA HOLDING INC (CH) 2009-07-29 EP claimed