SCHEMBL8556883

SCHEMBL8556883

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.40
POLB P06746 4/20 0.38
GAA P10253 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
GLA P06280 1/20 0.34
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 2/20 0.32
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
HSD17B1 P14061 2/20 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
SCHEMBL8556983 0.91 DHFR (0.37) PDK2POLBGAAMEN1KMT2A
SCHEMBL8554202 0.89 MEN1 (0.35) PDK2POLBGAAMEN1KMT2A
SCHEMBL8598630 0.87 MEN1 (0.34) PDK2POLBGAAMEN1KMT2A
SCHEMBL8559143 0.86 GPR84 (0.36) POLBGAAMEN1KMT2AKDM4E
SCHEMBL8560875 0.86 MEN1 (0.36) PDK2POLBGAAMEN1KMT2A
SCHEMBL8555558 0.74 GABRA1 (0.42) PDK2POLBGAAMEN1KMT2A
SCHEMBL8560521 0.71 ALDH1A1 (0.35) GAAKDM4EHPGDGLAALDH1A1
SCHEMBL8559665 0.70 PDK2 (0.33) PDK2
SCHEMBL9094215 0.68 GAA (0.35) POLBGAAMEN1KMT2AKDM4E
SCHEMBL8559228 0.67 PDK2 (0.34) PDK2

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