SCHEMBL8552714

SCHEMBL8552714

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.49
PARP1 P09874 1/20 0.46
KMT2A Q03164 7/20 0.44
MEN1 O00255 6/20 0.44
ALDH1A1 P00352 7/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALOX5 P09917 1/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 4/20 0.42
GAA P10253 3/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 3/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 3/20 0.41
GLA P06280 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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 0.88 KIF11 (0.52) KIF11PARP1KMT2AMEN1ALDH1A1
SCHEMBL8557670 0.86 KMT2A (0.53) KIF11PARP1KMT2AMEN1ALDH1A1
SCHEMBL8554616 0.84 KIF11 (0.54) KIF11PARP1KMT2AMEN1ALDH1A1
SCHEMBL7421225 0.81 KIF11 (0.50) KIF11PARP1KMT2AMEN1ALDH1A1
SCHEMBL7416246 0.76 ALOX5 (0.44) KIF11KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL2486166 0.72 KIF11 (0.63) KIF11PARP1KMT2AMEN1ALDH1A1
SCHEMBL7473716 0.72 KIF11 (0.50) KIF11PARP1KMT2AMEN1ALDH1A1
SCHEMBL7418110 0.71 KMT2A (0.58) KIF11PARP1KMT2AMEN1ALDH1A1
SCHEMBL22388846 0.71 KMT2A (0.76) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
Ammonia Solution, Strong SCHEMBL27457140 0.71 KMT2A (0.57) KMT2AALDH1A1SMN1; SMN2MAPTKDM4E

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