SCHEMBL29117883

SCHEMBL29117883

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
HTR2B P41595 2/20 0.34
HTR7 P34969 1/20 0.34
CYP1A2 P05177 1/20 0.33
ADRA2A P08913 1/20 0.33
MAOA P21397 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
PTGS2 P35354 1/20 0.32
HSP90AA1 P07900 1/20 0.32
ELANE P08246 1/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL29117658 0.83 NPC1 (0.36) RAB9ANPC1HTR2BHTR7HTR2C
SCHEMBL23494185 0.78 NPC1 (0.45) RAB9ANPC1HTR2BHTR7CYP1A2
SCHEMBL2552485 0.77 RAB9A (0.51) RAB9ANPC1HTR2BHTR7CYP1A2
SCHEMBL12701336 0.76 RAB9A (0.50) RAB9ANPC1HTR2BHTR7CYP1A2
SCHEMBL1089778 0.73 PTGDR2 (0.55) CYP1A2ADRA2ASLC6A2HTR2CSLC6A4
SCHEMBL28945985 0.72 PNMT (0.45) RAB9ANPC1HTR2BHTR7MAOA
SCHEMBL6524402 0.72 PNMT (0.45) RAB9ANPC1HTR2BHTR7MAOA
SCHEMBL28108164 0.72 ELANE (0.48) RAB9ANPC1HTR2BHTR7CYP1A2
SCHEMBL27408016 0.70 PNMT (0.46) RAB9ANPC1HTR2BHTR7MAOA
SCHEMBL5839212 0.70 PTGDR2 (0.45) PTGDR2ELANEMEN1KMT2A

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