SCHEMBL20103531

SCHEMBL20103531

COC(=O)C(C)(F)Cc1cccc(CO)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.48
PDK2 Q15119 1/20 0.48
PDK3 Q15120 1/20 0.48
PDK4 Q16654 1/20 0.48
PTPRB P23467 4/20 0.40
MTNR1B P49286 1/20 0.39
CTRB1 P17538 1/20 0.39
REN P00797 1/20 0.38
PRKCA P17252 1/20 0.38
PRKCD Q05655 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
IKBKB O14920 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
PTPN1 P18031 1/20 0.36
LOXL2 Q9Y4K0 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
SCHEMBL20103561 0.87 CYP4F2 (0.43) PDK1PDK2PDK3PDK4PTPRB
SCHEMBL20103587 0.85 PTPRB (0.40) PTPRBCTRB1MEN1KMT2AMRGPRX4
SCHEMBL20103651 0.83 PTPRB (0.39) PDK1PDK2PDK3PDK4PTPRB
SCHEMBL28808224 0.82 CTRB1 (0.50) PTPRBCTRB1MEN1KMT2APTPN1
SCHEMBL20103512 0.78 PTPRB (0.46) PDK1PDK2PDK3PDK4PTPRB
SCHEMBL20103363 0.75 ESR1 (0.38) PTPRBCTRB1MEN1KMT2AMRGPRX4
SCHEMBL10294037 0.73 ENPP2 (0.45) PDK1PDK2PDK3PDK4IKBKB
SCHEMBL20103538 0.72 RECQL (0.45) MRGPRX4LOXL2
SCHEMBL19776008 0.72 PPARA (0.43) PTPRBCTRB1MEN1KMT2APTPN1
SCHEMBL2139015 0.72 CYP3A4 (0.49) PDK1PDK2PDK3PDK4REN

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-2018081047-A1 CYCLOHEXYL GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 WO disclosed