SCHEMBL8556428

SCHEMBL8556428

C=CCc1c(C)c2c(c(OC(C)=O)c1C(=O)OC)C(C)(C)C(=O)N2Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ELANE P08246 1/20 0.37
CYP3A4 P08684 5/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 6/20 0.37
LMNA P02545 3/20 0.37
THRB P10828 2/20 0.36
TSHR P16473 1/20 0.35
GAA P10253 2/20 0.35
AR P10275 1/20 0.35
TDP1 Q9NUW8 3/20 0.35
MAPT P10636 5/20 0.34
CYP2D6 P10635 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PKM P14618 2/20 0.34
CASP7 P55210 1/20 0.34
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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 0.80 ELANE (0.41) KMT2AMEN1KDM4EELANECYP3A4
SCHEMBL8558516 0.74 ELANE (0.37) KMT2AMEN1ELANECYP3A4CYP2C19
SCHEMBL8556423 0.73 ELANE (0.38) KMT2AMEN1ELANECYP3A4CYP2C19
SCHEMBL8555608 0.66 ELANE (0.46) KMT2AMEN1KDM4EELANECYP3A4
SCHEMBL8555587 0.64 ELANE (0.54) KMT2AMEN1KDM4EELANECYP3A4
SCHEMBL8553103 0.63 ELANE (0.47) KMT2AMEN1ELANECYP3A4CYP2C19
SCHEMBL28711416 0.63 ELANE (0.56) KMT2AMEN1ELANECYP3A4CYP2C19
SCHEMBL28711419 0.62 ELANE (0.55) KMT2AMEN1ELANECYP3A4CYP2C19
SCHEMBL8556687 0.61 ELANE (0.56) KMT2AMEN1KDM4EELANECYP3A4
SCHEMBL9867417 0.61 KDM4E (0.43) KMT2AMEN1KDM4ECYP3A4ALDH1A1

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 2 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
EP-0653426-A1 Indole derivatives, salts thereof and heart affection therapeutic agent comprising the same KOWA COMPANY, LTD. (JP) 1995-05-17 EP disclosed