SCHEMBL8557956

SCHEMBL8557956

CCCCCCc1ccc(O)c2c1NC(=O)C2(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.47
MAPT P10636 2/20 0.44
ALOX15 P16050 2/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX5 P09917 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
BID P55957 3/20 0.43
MCL1 Q07820 3/20 0.43
BCL2L1 Q07817 2/20 0.43
BAK1 Q16611 2/20 0.43
KAT8 Q9H7Z6 2/20 0.43
SAE1 Q9UBE0 2/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
EP300 Q09472 1/20 0.43

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
SCHEMBL8559099 0.99 TYR (0.44) TYRMAPTALOX15MEN1TP53
SCHEMBL8557438 0.94 PDK2 (0.42) TYRMAPTALOX15MEN1TP53
SCHEMBL8556960 0.88 PDK2 (0.44) TYRALOX5ELANECTSGPDK2
SCHEMBL8557767 0.75 THRA (0.36) MAPTMEN1TSHRKMT2APPARG
SCHEMBL8557800 0.74 KDM4E (0.35) MAPTMEN1CYP3A4ALOX5TSHR
SCHEMBL8598630 0.72 MEN1 (0.34) MAPTMEN1ALOX5KMT2AELANE
SCHEMBL8552847 0.71 ALDH1A1 (0.41) MAPTMEN1HTTKMT2AELANE
SCHEMBL10327251 0.68 ELANE (0.59) TYRMAPTALOX15MEN1TP53
SCHEMBL6436060 0.67 TYR (0.73) TYRMAPTALOX15MEN1TP53
SCHEMBL10608049 0.67 TYR (0.73) TYRMAPTALOX15MEN1TP53

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