SCHEMBL8799550

SCHEMBL8799550

CCC(O)c1c(C)oc2c(NC(=O)c3c(C)cccc3N)cccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 4/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAOB P27338 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
F2R P25116 1/20 0.34
TP53 P04637 1/20 0.34
CDC25B P30305 1/20 0.34
MAPK1 P28482 1/20 0.34
GPR35 Q9HC97 1/20 0.34

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
SCHEMBL8800075 0.88 ITGB1 (0.39) ALDH1A1KDM4ELMNAMAPTNPSR1
SCHEMBL8800451 0.88 TYK2 (0.42) ALDH1A1KDM4ELMNAMAPTNPSR1
SCHEMBL8808952 0.84 CRHBP (0.43) ALDH1A1LMNAMAPTNPSR1HPGD
SCHEMBL8800035 0.84 GHSR (0.40) LMNAMAPTSMN1; SMN2HTTMEN1
SCHEMBL8799385 0.80 GHSR (0.38) ALDH1A1NPC1RAB9ATP53
SCHEMBL8801121 0.80 GPR35 (0.39) ALDH1A1LMNAMAPTNPSR1HPGD
SCHEMBL8799666 0.79 GHSR (0.42) ALDH1A1MAPTNPSR1L3MBTL1MEN1
SCHEMBL8800220 0.78 CYP3A4 (0.35) ALDH1A1LMNAHPGDCDC25B
SCHEMBL8799546 0.78 ALDH1A1 (0.39) ALDH1A1KDM4ELMNAMAPTNPSR1
SCHEMBL7816603 0.76 MEN1 (0.38) MAPTSMN1; SMN2HTTMEN1KMT2A

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
EP-0757682-A1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed