SCHEMBL8556423

SCHEMBL8556423

COC(=O)/C=C/Cc1cc(C)c2c(c1OC(C)=O)C(C)(C)C(=O)N2Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NR3C2 P08235 2/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
GLA P06280 1/20 0.34
THRB P10828 1/20 0.34
LMNA P02545 2/20 0.33
ALOX5 P09917 1/20 0.33
PTPN1 P18031 1/20 0.33
CYP3A4 P08684 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
CYP2C9 P11712 1/20 0.33
CRHBP P24387 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
CRHR2 Q13324 1/20 0.33
SMN1; SMN2 Q16637 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 0.86 ELANE (0.41) ELANETDP1MEN1KMT2AALDH1A1
SCHEMBL8558516 0.78 ELANE (0.37) ELANETDP1MEN1KMT2ANR3C2
SCHEMBL8558336 0.73 ELANE (0.44) ELANETDP1MEN1KMT2AALDH1A1
SCHEMBL8558333 0.73 ELANE (0.44) ELANETDP1MEN1KMT2AALDH1A1
SCHEMBL8556428 0.73 KMT2A (0.39) ELANETDP1MEN1KMT2AALDH1A1
SCHEMBL8555608 0.71 ELANE (0.46) ELANETDP1MEN1KMT2AMAPT
SCHEMBL8556687 0.66 ELANE (0.56) ELANETDP1MEN1KMT2AALDH1A1
SCHEMBL7148105 0.64 MAOB (0.50) ALDH1A1MAPTLMNAHTTPOLB
SCHEMBL8262659 0.64 MAOB (0.50) ALDH1A1MAPTLMNAHTTPOLB
SCHEMBL7150103 0.64 MAOB (0.50) ALDH1A1MAPTLMNAHTTPOLB

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