SCHEMBL7827508

SCHEMBL7827508

CC(=O)Nc1cccc2c(C(C)(C)O)c(C)oc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.50
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.39
EDNRA P25101 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
MAPK1 P28482 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PARP14 Q460N5 2/20 0.36
ERCC1 P07992 1/20 0.36
FEN1 P39748 1/20 0.36
ERCC4 Q92889 1/20 0.36
MAPT P10636 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
SCHEMBL7816537 0.88 GPR35 (0.41) GPR35ALDH1A1HPGDSMN1; SMN2PDK1
SCHEMBL8345841 0.85 GPR35 (0.39) GPR35ALDH1A1HPGDMEN1KMT2A
SCHEMBL7824213 0.82 RAB9A (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL7827083 0.80 TYK2 (0.47) ALDH1A1HPGDSMN1; SMN2KDM4EHTT
SCHEMBL7817437 0.80 ALDH1A1 (0.39) GPR35ALDH1A1HPGDMEN1KMT2A
SCHEMBL8799546 0.80 ALDH1A1 (0.39) GPR35ALDH1A1HPGDMEN1KMT2A
SCHEMBL8341754 0.79 TP53 (0.48) GPR35ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8799382 0.79 TYK2 (0.37) GPR35ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL7823819 0.78 GPR35 (0.53) GPR35ALDH1A1HPGDMEN1KMT2A
SCHEMBL7816319 0.77 SMN1; SMN2 (0.47) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0757682-B1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO (JP) 2001-06-20 EP disclosed
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