SCHEMBL20103512

SCHEMBL20103512

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 5/20 0.46
DRD2 P14416 2/20 0.39
DRD1 P21728 2/20 0.39
DRD4 P21917 2/20 0.39
DRD5 P21918 2/20 0.39
DRD3 P35462 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPRA P18433 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
CTSD P07339 1/20 0.37

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
SCHEMBL29454657 0.89 PPARG (0.44) PTPRBDRD2DRD1DRD4DRD5
SCHEMBL12621537 0.83 PTPRB (0.41) PTPRBDRD2DRD1DRD4DRD5
SCHEMBL5175800 0.82 PPARG (0.42) PTPRBDRD2DRD1DRD4DRD5
SCHEMBL1904920 0.80 SLC7A5 (0.49) MEN1KMT2AKDM4EPDK2
SCHEMBL2899501 0.79 PTPRB (0.38) PTPRBDRD2DRD1DRD4DRD5
SCHEMBL13114553 0.79 PPARA (0.46) PTPRBDRD2DRD1DRD4DRD5
SCHEMBL28808224 0.79 CTRB1 (0.50) PTPRBMEN1KMT2APTPN2PTPN1
SCHEMBL20103587 0.78 PTPRB (0.40) PTPRBMEN1KMT2A
SCHEMBL20103531 0.78 PDK1 (0.48) PTPRBMEN1KMT2APTPN1PDK1
SCHEMBL18511728 0.78 CA12 (0.45) DRD2DRD1DRD4DRD5DRD3

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