SCHEMBL29117658

SCHEMBL29117658

C=CC(=O)Oc1c(C2CCCCCC2)ccc2c1Cc1ccccc1-2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HTR7 P34969 2/20 0.34
HTR2B P41595 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
PNMT P11086 1/20 0.32
MAPT P10636 2/20 0.32
SRD5A2 P31213 1/20 0.32
CNR1 P21554 1/20 0.31
TYMS P04818 1/20 0.31
DRD2 P14416 1/20 0.30
ADRA1D P25100 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
PTGS2 P35354 1/20 0.30
HSP90AA1 P07900 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 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
SCHEMBL29117883 0.83 RAB9A (0.41) NPC1RAB9AHTR7HTR2BPTGDR2
SCHEMBL28045273 0.78 RAB9A (0.41) NPC1RAB9AHTR7HTR2BPNMT
SCHEMBL23494232 0.76 RAB9A (0.42) NPC1RAB9AHTR7HTR2BPNMT
SCHEMBL1331344 0.75 RAB9A (0.44) NPC1RAB9AHTR7HTR2BPNMT
SCHEMBL25297197 0.74 RAB9A (0.38) NPC1RAB9AHTR7HTR2BPNMT
SCHEMBL31628069 0.74 RAB9A (0.43) NPC1RAB9AHTR7HTR2BPNMT
SCHEMBL12701591 0.74 RAB9A (0.42) NPC1RAB9AHTR7HTR2BPNMT
SCHEMBL28945985 0.73 PNMT (0.45) NPC1RAB9AHTR7HTR2BPTGDR2
SCHEMBL6524402 0.73 PNMT (0.45) NPC1RAB9AHTR7HTR2BPTGDR2
SCHEMBL29028189 0.72 NPC1 (0.42) NPC1RAB9AHTR7HTR2BPNMT

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
CN-116981758-A Thermally responsive brush polymers having a copolymer backbone and copolymer arms 英菲诺姆国际有限公司 2023-10-31 CN disclosed