SCHEMBL8345841

SCHEMBL8345841

CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc3c(C(C)(C)O)c(C)oc23)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.39
PARP14 Q460N5 1/20 0.36
PDK1 Q15118 2/20 0.36
PDK2 Q15119 2/20 0.36
PDK3 Q15120 2/20 0.36
PDK4 Q16654 2/20 0.36
ALDH1A1 P00352 4/20 0.34
LMNA P02545 4/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 3/20 0.32
KDM4E B2RXH2 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 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
SCHEMBL7816537 0.91 GPR35 (0.41) GPR35PDK1PDK2PDK3PDK4
SCHEMBL7824213 0.87 RAB9A (0.41) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL7828389 0.87 PARP14 (0.35) GPR35PARP14PDK1PDK2PDK3
SCHEMBL7816589 0.85 MAPT (0.44) GPR35PARP14ALDH1A1LMNAMAPT
SCHEMBL8345039 0.85 PDE4D (0.41) ALDH1A1LMNAMAPTNPSR1MEN1
SCHEMBL7827508 0.85 GPR35 (0.50) GPR35PARP14PDK1PDK2PDK3
SCHEMBL7827083 0.84 TYK2 (0.47) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL8799382 0.81 TYK2 (0.37) GPR35ALDH1A1LMNAMAPTNPSR1
SCHEMBL7825378 0.81 GAA (0.42) ALDH1A1LMNAMAPTNPSR1MEN1
SCHEMBL7816803 0.78 PTGS2 (0.39) ALDH1A1LMNAMAPTNPSR1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5858995-A ADMINISTERING TO HUMANS AND ANIMALS IN THE TREATMENT OF DISEASES CAUSED BY ABNORMAL BONE METABOLISM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-01-12 US disclosed
EP-0757682-A1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed
WO-1995029907-A1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-09 WO disclosed