SCHEMBL8695280

SCHEMBL8695280

CCOC(=O)C(C)(c1cc(C)cc(C)c1)C(CCNC(=O)OC(C)(C)C)c1ccc2[nH]ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
MAOA P21397 1/20 0.35
PTPRB P23467 1/20 0.35
THRA P10827 3/20 0.33
THRB P10828 3/20 0.33
AURKA O14965 1/20 0.33
EPHX1 P07099 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
TACR1 P25103 1/20 0.32
TSHR P16473 1/20 0.32
BCHE P06276 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
KDM4E B2RXH2 3/20 0.32
MAPT P10636 3/20 0.32
TDP1 Q9NUW8 3/20 0.32

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
SCHEMBL8697838 0.90 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3EPHX1MEN1
SCHEMBL8689640 0.85 MAOA (0.36) SLC6A2SLC6A4SLC6A3MAOATHRA
SCHEMBL8697815 0.75 PTGS2 (0.36) SLC6A2SLC6A4SLC6A3MAOATHRA
SCHEMBL30937471 0.69 HDAC1 (0.48) EPHX1BCHEMAPTTDP1NPSR1
SCHEMBL2307317 0.69 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3BCHEMAPT
SCHEMBL7214903 0.66 L3MBTL1 (0.49) KDM4EMAPTTDP1
SCHEMBL29792562 0.66 L3MBTL1 (0.49) KDM4EMAPTTDP1
SCHEMBL10631836 0.66 PTGS2 (0.47) SLC6A2SLC6A4SLC6A3MAOAGAA
SCHEMBL9913545 0.65 KDM4A (0.40) SLC6A2SLC6A4SLC6A3TACR1BCHE
SCHEMBL13539191 0.65 KDM4A (0.43) SLC6A2SLC6A4SLC6A3TACR1BCHE

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-5780437-A ADMINISTERING TO TREAT SEX-HORMONE RELATED DISORDERS MERCK & CO., INC. (US) 1998-07-14 US disclosed