SCHEMBL8557767

SCHEMBL8557767

C=CCOc1ccc(CCCCCC)c2c1C(C)(C)C(=O)N2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
LTA4H P09960 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
PDK2 Q15119 1/20 0.34
PPARA Q07869 2/20 0.33
PPARG P37231 1/20 0.33
TSHR P16473 1/20 0.33
ELANE P08246 3/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 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
SCHEMBL8557800 0.99 KDM4E (0.35) THRATHRBALDH1A1KDM4EMAPT
SCHEMBL8556692 0.95 KDM4E (0.36) THRATHRBALDH1A1KDM4EMAPT
SCHEMBL8560283 0.91 KDM4E (0.37) ALDH1A1KDM4EMAPTHPGDPDK2
SCHEMBL8557627 0.87 PDK2 (0.46) ALDH1A1KDM4EMAPTHPGDPDK2
SCHEMBL8555134 0.78 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTHPGDPDK2
SCHEMBL8557956 0.75 TYR (0.47) KDM4EMAPTGPR84PDK2PPARA
SCHEMBL8559099 0.74 TYR (0.44) MAPTPDK2PPARAPPARGTSHR
SCHEMBL8559143 0.71 GPR84 (0.36) THRATHRBKDM4EMAPTHPGD
SCHEMBL8555625 0.70 CYP3A4 (0.43) ALDH1A1KDM4EMAPTHPGDPDK2
SCHEMBL8557438 0.70 PDK2 (0.42) MAPTPDK2PPARAPPARGTSHR

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