SCHEMBL9736562

SCHEMBL9736562

Cn1ccc(CC(O)C(=O)c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.44
LMNA P02545 3/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ALKBH5 Q6P6C2 1/20 0.37
PGR P06401 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
KCNH2 Q12809 1/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 3/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL26065 0.78 MDM2 (0.68) MDM2LMNACES2CES1ALKBH5
SCHEMBL9735929 0.77 OPRM1 (0.44) MDM2LMNAL3MBTL1HSD17B10MAPK1
SCHEMBL9736835 0.74 ALDH1A1 (0.47) MDM2LMNACES2CES1ALKBH5
SCHEMBL31370201 0.71 TYR (0.55) LMNAADRA2AHTR2AKCNH2KMT2A
SCHEMBL29926764 0.71 MDM2 (0.53) MDM2LMNACES2CES1ALKBH5
SCHEMBL10988389 0.71 MDM2 (0.53) MDM2CES2CES1KMT2AL3MBTL1
SCHEMBL10829586 0.71 LDHA (0.58) MDM2CES2CES1KMT2AALDH1A1
SCHEMBL10830533 0.71 ALDH1A1 (0.56) MDM2LMNAKMT2AALDH1A1L3MBTL1
SCHEMBL2985359 0.70 CES1 (0.54) MDM2LMNACES2CES1ALKBH5
SCHEMBL289556 0.69 PGR (0.53) MDM2LMNACES2CES1ALKBH5

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
US-5118685-A Antiarrhythmia agents BASF AKTIENGESELLSCHAFT (DE) 1992-06-02 US disclosed