SCHEMBL8092602

SCHEMBL8092602

CCOC(=O)CC1=Cc2cc(C(F)(F)F)ccc2CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPM2 O94759 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
POLB P06746 1/20 0.38
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
BRD4 O60885 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
SCHEMBL11459008 0.88 CFTR (0.39) POLBALDH1A1MAPTNPSR1CYP1A2
SCHEMBL8092437 0.84 ADRA2A (0.43) POLBMAPTNPSR1CYP1A2CYP2C9
SCHEMBL8092415 0.84 BRD4 (0.39) ALDH1A1L3MBTL1MAPTCYP1A2CYP2C9
SCHEMBL6951250 0.82 PSEN1 (0.40) ALDH1A1KDM4E
SCHEMBL8096734 0.81 PPARG (0.42) CYP11B2ALDH1A1GAAMAPTCYP1A2
SCHEMBL8091366 0.78 NOTUM (0.43) ALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL27500226 0.76 HTR2A (0.36)
SCHEMBL8099968 0.76 MCHR1 (0.42) ALDH1A1L3MBTL1MAPTCYP1A2CYP2C9
SCHEMBL7071372 0.74 PPARG (0.41) POLBALDH1A1L3MBTL1GAAMAPT
SCHEMBL19985008 0.73 NQO2 (0.43) CYP11B1CYP11B2POLBALDH1A1L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1183907-C Imidazoline compound, preparing process thereof and pharmaceutical composition contg. same SERVIER LAB (FR) 2005-01-12 CN disclosed
US-6127396-A Imidazoline compounds ADIR ET COMPAGNIE (FR) 2000-10-03 US disclosed