SCHEMBL8558516

SCHEMBL8558516

C=CC(C(=O)OC)c1cc(C)c2c(c1OC(C)=O)C(C)(C)C(=O)N2Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP3A4 P08684 4/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
CYP2D6 P10635 1/20 0.33
HSD17B10 Q99714 1/20 0.33
THRB P10828 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CASP7 P55210 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32
NR3C2 P08235 1/20 0.32
OPRK1 P41145 1/20 0.32
ATM Q13315 2/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL8557622 0.82 ELANE (0.41) ELANETDP1CYP3A4ALDH1A1MEN1
SCHEMBL8556423 0.78 ELANE (0.38) ELANETDP1CYP3A4ALDH1A1LMNA
SCHEMBL8556428 0.74 KMT2A (0.39) ELANETDP1CYP3A4ALDH1A1LMNA
SCHEMBL8555608 0.68 ELANE (0.46) ELANETDP1CYP3A4LMNAMAPT
SCHEMBL8556687 0.65 ELANE (0.56) ELANETDP1CYP3A4ALDH1A1LMNA
SCHEMBL8553103 0.65 ELANE (0.47) ELANETDP1CYP3A4ALDH1A1MAPT
SCHEMBL8555587 0.64 ELANE (0.54) ELANETDP1CYP3A4ALDH1A1LMNA
SCHEMBL8558333 0.63 ELANE (0.44) ELANETDP1CYP3A4ALDH1A1MAPT
SCHEMBL8558336 0.63 ELANE (0.44) ELANETDP1CYP3A4ALDH1A1MAPT
SCHEMBL8556267 0.63 ELANE (0.41) ELANETDP1ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0653426-B1 Indole derivatives, salts thereof and heart affection therapeutic agent comprising the same KOWA CO (JP) 1998-07-22 EP disclosed
US-5510366-A INOTROPIC, ANTIARRHYMTHMIA AGENTS, VASODILATORS KOWA CO., LTD. (JP) 1996-04-23 US disclosed
EP-0653426-A1 Indole derivatives, salts thereof and heart affection therapeutic agent comprising the same KOWA COMPANY, LTD. (JP) 1995-05-17 EP disclosed