SCHEMBL8554616

SCHEMBL8554616

COC(=O)c1ccc2c(C(=O)OCc3ccccc3)c(C)[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.54
NR4A2 P43354 1/20 0.53
PARP1 P09874 1/20 0.51
RAB9A P51151 5/20 0.51
KMT2A Q03164 4/20 0.51
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
MAPK1 P28482 1/20 0.49
HPGD P15428 2/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 2/20 0.47
GAA P10253 3/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPT P10636 2/20 0.45
GLA P06280 1/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DYRK1A Q13627 1/20 0.45

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
SCHEMBL8553082 0.86 KIF11 (0.52) KIF11PARP1RAB9AKMT2ANPC1
SCHEMBL8557670 0.84 KMT2A (0.53) KIF11PARP1RAB9AKMT2ANPC1
SCHEMBL8552714 0.84 KIF11 (0.49) KIF11PARP1RAB9AKMT2ANPC1
SCHEMBL31498185 0.80 NR4A2 (0.58) NR4A2SMN1; SMN2HPGDLMNAALDH1A1
SCHEMBL7831236 0.79 GAA (0.67) NR4A2RAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL7835186 0.79 GAA (0.63) NR4A2RAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL7834393 0.79 MAPT (0.54) NR4A2RAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL7419884 0.79 KIF11 (0.58) KIF11NR4A2PARP1RAB9AKMT2A
SCHEMBL6315808 0.78 GAA (0.74) NR4A2RAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL7422570 0.78 KIF11 (0.55) KIF11NR4A2PARP1RAB9AKMT2A

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-0820441-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-28 EP disclosed