SCHEMBL8808952

SCHEMBL8808952

CCC(O)c1c(C)oc2c(NC(=O)c3c(C)cccc3[N+](=O)[O-])cccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
TDP1 Q9NUW8 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 4/20 0.40
POLB P06746 4/20 0.39
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
MITF O75030 1/20 0.39
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPK1 P28482 3/20 0.38
OPRK1 P41145 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 1/20 0.38
PLK1 P53350 1/20 0.38
PLK3 Q9H4B4 1/20 0.38
NPC1 O15118 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
SCHEMBL8800127 0.86 ALDH1A1 (0.41) CRHBPCRHR2L3MBTL1LMNAPOLB
SCHEMBL8799550 0.84 ALDH1A1 (0.38) L3MBTL1LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL8800075 0.84 ITGB1 (0.39) L3MBTL1LMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL8800451 0.84 TYK2 (0.42) L3MBTL1LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL8800035 0.81 GHSR (0.40) CRHBPCRHR2LMNAPOLBSMN1; SMN2
SCHEMBL7815641 0.79 TDP1 (0.43) CRHBPCRHR2TDP1L3MBTL1LMNA
SCHEMBL8799385 0.77 GHSR (0.38) ALDH1A1NPC1RAB9A
SCHEMBL8801121 0.77 GPR35 (0.39) LMNAPOLBALDH1A1SMN1; SMN2MAPT
SCHEMBL16583563 0.76 TDP1 (0.60) CRHBPCRHR2TDP1L3MBTL1LMNA
SCHEMBL8799666 0.76 GHSR (0.42) L3MBTL1POLBALDH1A1MAPTMEN1

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