SCHEMBL8557622

SCHEMBL8557622

C=CCc1cc(C)c2c(c1OC(C)=O)C(C)(C)C(=O)N2Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PTPN1 P18031 1/20 0.37
ALOX5 P09917 2/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2C9 P11712 1/20 0.33
CRHBP P24387 1/20 0.33
HTT P42858 1/20 0.33
CRHR2 Q13324 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PTGS1 P23219 1/20 0.33
CTSG P08311 1/20 0.33
PRTN3 P24158 1/20 0.33
AMPD2 Q01433 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
SCHEMBL8556423 0.86 ELANE (0.38) ELANEMEN1KMT2ATDP1PTPN1
SCHEMBL8555608 0.85 ELANE (0.46) ELANEMEN1KMT2ATDP1KDM4E
SCHEMBL8558516 0.82 ELANE (0.37) ELANEMEN1KMT2ATDP1ALDH1A1
SCHEMBL8556428 0.80 KMT2A (0.39) ELANEMEN1KMT2ATDP1KDM4E
SCHEMBL8558333 0.73 ELANE (0.44) ELANEMEN1KMT2ATDP1KDM4E
SCHEMBL8558336 0.73 ELANE (0.44) ELANEMEN1KMT2ATDP1KDM4E
SCHEMBL8553103 0.71 ELANE (0.47) ELANEMEN1KMT2ATDP1ALDH1A1
SCHEMBL8556687 0.69 ELANE (0.56) ELANEMEN1KMT2ATDP1KDM4E
SCHEMBL8556267 0.69 ELANE (0.41) ELANETDP1PTPN1ALDH1A1CYP2C19
SCHEMBL8555587 0.67 ELANE (0.54) ELANEMEN1KMT2ATDP1KDM4E

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