SCHEMBL29112976

SCHEMBL29112976

C=C(O)C(=O)Oc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
HTR2B P41595 3/20 0.43
HTR7 P34969 2/20 0.43
PNMT P11086 1/20 0.41
SRD5A2 P31213 2/20 0.40
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.38
HSP90AA1 P07900 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GSR P00390 1/20 0.36
DRD2 P14416 2/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
HTR2C P28335 2/20 0.35
ADRA1D P25100 1/20 0.35

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
SCHEMBL30695173 0.89 RAB9A (0.47) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL1315278 0.87 ATM (0.49) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL2552485 0.87 RAB9A (0.51) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL18499917 0.87 RAB9A (0.44) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL30616301 0.86 RAB9A (0.49) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL8840922 0.84 RAB9A (0.54) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL20917777 0.83 RAB9A (0.49) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL20886929 0.82 TOP1 (0.51) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL2131214 0.81 RAB9A (0.55) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL4675573 0.81 HTR2B (0.51) RAB9ANPC1HTR2BHTR7PNMT

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-117098792-A Curable resin composition for photo-molding, cured product, and three-dimensional molded article DIC株式会社 2023-11-21 CN disclosed