SCHEMBL9817557

SCHEMBL9817557

CC=CC(=O)OCCCOc1cc(CCCC)c(O)c(-n2nc3ccc(OC)cc3n2)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
HDAC8 Q9BY41 2/20 0.35
AKR1B10 O60218 2/20 0.35
AKR1B1 P15121 2/20 0.35
APP P05067 1/20 0.34
NPC1 O15118 2/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 3/20 0.33
PLA2G2A P14555 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTPN1 P18031 1/20 0.33
LMNA P02545 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
SCHEMBL9817552 0.85 POLB (0.37) MTNR1AMTNR1BHDAC8NPC1TSHR
SCHEMBL2778925 0.84 HDAC8 (0.34) HDAC8AKR1B10AKR1B1NPC1RAB9A
SCHEMBL22549024 0.79 NPC1 (0.36) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL22451189 0.76 APP (0.34) AKR1B10AKR1B1APPNPC1RAB9A
SCHEMBL8397405 0.75 KDM4E (0.35) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL13483389 0.75 NPC1 (0.39) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL22549036 0.72 NPC1 (0.36) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL20580264 0.72 RAB9A (0.35) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL22549006 0.71 THRB (0.41) NPC1TSHRRAB9AMAPTKDM4E
SCHEMBL7739362 0.71 AKR1B10 (0.37) AKR1B10AKR1B1LMNA

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-0274844-B1 ULTRAVIOLET ABSORBING POLYMERS COMPRISING 2-(2'-HYDROXY 5'-ACRYLOYLOXYALKOXYPHENYL)-2H-BENZOTRIAZOLE IOLAB CORPORATION (US) 1991-11-06 EP claimed