SCHEMBL8560875

SCHEMBL8560875

C=CCc1cc(C)c2c(c1O)C(C)(C)C(=O)N2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
POLB P06746 4/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 4/20 0.36
KDM4E B2RXH2 3/20 0.35
GLA P06280 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
PDK2 Q15119 1/20 0.34
MAPK1 P28482 2/20 0.32
HSD17B1 P14061 1/20 0.31
PTPN1 P18031 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 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
SCHEMBL8556883 0.86 PDK2 (0.40) MEN1KMT2AALOX5PTGS1PTGS2
SCHEMBL8559665 0.84 PDK2 (0.33) PDK2
SCHEMBL8556983 0.83 DHFR (0.37) MEN1KMT2AALOX5PTGS1PTGS2
SCHEMBL8554202 0.81 MEN1 (0.35) MEN1KMT2APOLBMAPTHPGD
SCHEMBL8559228 0.81 PDK2 (0.34) PDK2
SCHEMBL8598630 0.80 MEN1 (0.34) MEN1KMT2AALOX5PTGS2POLB
SCHEMBL8559143 0.79 GPR84 (0.36) MEN1KMT2AALOX5PTGS2POLB
SCHEMBL9094215 0.78 GAA (0.35) MEN1KMT2AALOX5PTGS1PTGS2
SCHEMBL8555558 0.74 GABRA1 (0.42) MEN1KMT2APOLBMAPTHPGD
SCHEMBL8560521 0.74 ALDH1A1 (0.35) HPGDGAAKDM4EGLAALDH1A1

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