SCHEMBL30148520

SCHEMBL30148520

COc1ccc(O)cc1CC(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.49
MAOB P27338 1/20 0.47
ALOX15 P16050 2/20 0.46
ALOX12 P18054 1/20 0.46
GAA P10253 2/20 0.45
GABRA1 P14867 3/20 0.44
GABRB2 P47870 3/20 0.44
FOS P01100 1/20 0.42
TTR P02766 1/20 0.42
JUN P05412 1/20 0.42
NR3C1 P04150 1/20 0.42
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
CASP1 P29466 1/20 0.42

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
SCHEMBL2739018 0.86 HTR2A (0.68) HTR2A
SCHEMBL5469292 0.83 HTR2A (0.44) HTR2AMAOBALOX15ALOX12
SCHEMBL5882359 0.82 L3MBTL1 (0.42) GAAGABRA1GABRB2KDM4EMEN1
SCHEMBL27453036 0.79 ACHE (0.52) HTR2AGAAALDH1A1
SCHEMBL10148127 0.79 HTR2A (0.50) HTR2AGAAKDM4EMEN1ALDH1A1
SCHEMBL4960829 0.79 HTR2A (0.74) HTR2AGAAHSD17B10
SCHEMBL14551457 0.79 ALOX15 (0.47) HTR2AALOX15ALOX12GAAGABRA1
SCHEMBL16625523 0.79 MAOB (0.52) MAOBALOX15GAATTRKDM4E
SCHEMBL29392084 0.79 MAOB (0.52) MAOBALOX15GAATTRKDM4E
SCHEMBL178369 0.79 MAOB (0.52) MAOBALOX15GAATTRKDM4E

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-2022221774-A1 ARYL-RING-SUBSTITUTED 3-PHENYLAZETIDINES AND THEIR USE IN METHODS FOR TREATING 5-HT2 RESPONSIVE CONDITIONS ELEUSIS THERAPEUTICS US, INC. (US) 2022-10-20 WO disclosed