SCHEMBL2664263

SCHEMBL2664263

O=C(COc1ccc(OC(F)(F)F)cc1)C1CCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.46
AOC3 Q16853 1/20 0.46
KDM2B Q8NHM5 1/20 0.45
HRH3 Q9Y5N1 2/20 0.45
TAOK1 Q7L7X3 1/20 0.45
TAOK3 Q9H2K8 1/20 0.45
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.44
EPHX2 P34913 2/20 0.44
EPHX1 P07099 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTR2C P28335 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL4630807 0.82 HTR2C (0.61) MAOBAOC3HRH3TAOK1TAOK3
SCHEMBL5880760 0.76 RAB9A (0.53) ALDH1A1EPHX2KDM4EPOLB
SCHEMBL10938284 0.76 SMN1; SMN2 (0.55) ALDH1A1EPHX2MEN1KMT2ASMN1; SMN2
SCHEMBL2255074 0.75 EPHX2 (0.53) KDM2BHRH3TDP1L3MBTL1ALDH1A1
SCHEMBL656941 0.75 ALOX15 (0.59) MAOBAOC3HRH3PPARDPPARA
SCHEMBL2171542 0.74 MAOB (0.57) MAOBAOC3HRH3TDP1ALDH1A1
SCHEMBL118361 0.74 MAOB (0.53) MAOBAOC3HRH3TDP1L3MBTL1
SCHEMBL12824120 0.74 ALDH1A1 (0.54) MAOBAOC3HRH3PPARDL3MBTL1
SCHEMBL18960368 0.73 EPHX2 (0.64) TDP1L3MBTL1ALDH1A1EPHX2EPHX1
SCHEMBL2554073 0.72 POLB (0.56) TDP1L3MBTL1ALDH1A1CYP1A2CYP2C19

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-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed