SCHEMBL8559099

SCHEMBL8559099

CCCCCc1ccc(O)c2c1NC(=O)C2(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.44
ALOX5 P09917 2/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ELANE P08246 3/20 0.41
CTSG P08311 3/20 0.41
PDK2 Q15119 1/20 0.41
BID P55957 3/20 0.40
MCL1 Q07820 3/20 0.40
BCL2L1 Q07817 2/20 0.40
BAK1 Q16611 2/20 0.40
KAT8 Q9H7Z6 2/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL8557956 0.99 TYR (0.47) TYRALOX5MEN1TP53CYP3A4
SCHEMBL8557438 0.96 PDK2 (0.42) TYRALOX5MEN1TP53CYP3A4
SCHEMBL8556960 0.90 PDK2 (0.44) TYRALOX5ELANECTSGPDK2
SCHEMBL8557800 0.75 KDM4E (0.35) ALOX5MEN1CYP3A4MAPTTSHR
SCHEMBL8557767 0.74 THRA (0.36) MEN1MAPTTSHRKMT2AELANE
SCHEMBL8598630 0.73 MEN1 (0.34) ALOX5MEN1MAPTKMT2AELANE
SCHEMBL8552847 0.72 ALDH1A1 (0.41) MEN1MAPTHTTKMT2AELANE
SCHEMBL10327251 0.66 ELANE (0.59) TYRALOX5MEN1TP53CYP3A4
SCHEMBL6343723 0.66 TYR (0.70) TYRALOX5MEN1TP53CYP3A4
SCHEMBL5677194 0.64 TYR (0.68) TYRALOX5MEN1TP53CYP3A4

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