SCHEMBL8820474

SCHEMBL8820474

CCC1CC(CC(N)=O)c2ccccc2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.37
ATM Q13315 2/20 0.36
THRB P10828 2/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
USP2 O75604 1/20 0.35
MTNR1A P48039 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTT P42858 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
DRD1 P21728 1/20 0.34
TBXA2R P21731 1/20 0.34
SLC6A2 P23975 1/20 0.34

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
SCHEMBL9819041 0.87 HTT (0.40) THRBTP53MAPTMEN1KMT2A
SCHEMBL9819039 0.87 HTT (0.40) THRBTP53MAPTMEN1KMT2A
SCHEMBL9818756 0.77 HTT (0.42) MEN1KMT2AMTNR1ATSHRSMN1; SMN2
SCHEMBL9818762 0.77 HTT (0.42) MEN1KMT2AMTNR1ATSHRSMN1; SMN2
SCHEMBL27865204 0.75 HTT (0.39) THRBTP53MAPTMEN1KMT2A
SCHEMBL9819040 0.72 LTB4R (0.43) MEN1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL9819044 0.72 LTB4R (0.43) MEN1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL23423177 0.71 KMT2A (0.43) THRBTP53MAPTMEN1KMT2A
SCHEMBL9818872 0.70 ABCB1 (0.46) MTNR1AHTTHPGD
SCHEMBL9818878 0.70 ABCB1 (0.46) MTNR1AHTTHPGD

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-1997007120-A9 BIPHENYL(THIO)AMIDE AND BIPHENYLETHAN(THI)ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS 5-HT1D RECEPTOR ANTAGONISTS 1997-04-03 WO disclosed