SCHEMBL8557800

SCHEMBL8557800

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
LTA4H P09960 1/20 0.35
PDK2 Q15119 1/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
PDE4B Q07343 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 2/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
ELANE P08246 3/20 0.31

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
SCHEMBL8557767 0.99 THRA (0.36) KDM4EALDH1A1MAPTHPGDLTA4H
SCHEMBL8556692 0.96 KDM4E (0.36) KDM4EALDH1A1MAPTHPGDLTA4H
SCHEMBL8560283 0.92 KDM4E (0.37) KDM4EALDH1A1MAPTHPGDPDK2
SCHEMBL8557627 0.88 PDK2 (0.46) KDM4EALDH1A1MAPTHPGDPDK2
SCHEMBL8555134 0.79 ALDH1A1 (0.37) KDM4EALDH1A1MAPTHPGDPDK2
SCHEMBL8559099 0.75 TYR (0.44) MAPTPDK2MEN1KMT2ATSHR
SCHEMBL8557956 0.74 TYR (0.47) KDM4EMAPTPDK2GPR84MEN1
SCHEMBL8557438 0.71 PDK2 (0.42) MAPTPDK2MEN1KMT2ATSHR
SCHEMBL8555625 0.71 CYP3A4 (0.43) KDM4EALDH1A1MAPTHPGDPDK2
SCHEMBL8598630 0.71 MEN1 (0.34) KDM4EMAPTHPGDPDK2GPR84

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