SCHEMBL29619602

SCHEMBL29619602

Cc1cccc2c(CC(O)(c3ccccc3)c3ccccc3)c[nH]c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.52
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SOS2 Q07890 1/20 0.50
PCSK9 Q8NBP7 1/20 0.46
BRPF1 P55201 1/20 0.43
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
AR P10275 4/20 0.41
NR4A2 P43354 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
NR3C1 P04150 2/20 0.39
PGR P06401 1/20 0.39
NR3C2 P08235 1/20 0.39
FTO Q9C0B1 1/20 0.38
HTT P42858 1/20 0.37
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37

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
SCHEMBL24654245 1.00 HTR2A (0.52) HTR2AMAPTSMN1; SMN2NPSR1SOS2
SCHEMBL22879439 0.82 HTR2A (0.58) HTR2AMAPTSMN1; SMN2NPSR1SOS2
SCHEMBL13715290 0.82 HTR2A (0.61) HTR2AMAPTSMN1; SMN2NPSR1SOS2
SCHEMBL24654093 0.77 MEN1 (0.55) HTR2AMAPTSMN1; SMN2POLBGPR84
SCHEMBL27911678 0.74 HTR2A (0.69) HTR2AMAPTSMN1; SMN2NPSR1SOS2
SCHEMBL28114102 0.74 MEN1 (0.44) SMN1; SMN2NR3C2
SCHEMBL23360640 0.74 HTR2A (0.55) HTR2AMAPTSMN1; SMN2NPSR1SOS2
SCHEMBL24654244 0.73 HTR2A (0.51) HTR2AMAPTSMN1; SMN2NPSR1PCSK9
SCHEMBL8297888 0.73 HTR2A (0.67) HTR2AMAPTSMN1; SMN2NPSR1SOS2
SCHEMBL6284097 0.73 HTR2A (0.58) HTR2AMAPTSMN1; SMN2NPSR1SOS2

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
WO-2022082817-A1 3-THREE-MEMBERED SPIROOXINDOLE DERIVATIVE SYNTHESIZING METHOD 苏州大学 2022-04-28 WO disclosed