SCHEMBL11713591

SCHEMBL11713591

CC(C)C(Oc1cccc(Br)c1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.52
PPARG P37231 2/20 0.50
PPARA Q07869 2/20 0.50
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.46
KMT2A Q03164 2/20 0.45
PTGS1 P23219 1/20 0.44
MAPT P10636 2/20 0.43
CYP1A2 P05177 2/20 0.43
GAA P10253 2/20 0.43
LDHA P00338 1/20 0.43
RECQL P46063 1/20 0.43
MITF O75030 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
ADAMTS4 O75173 1/20 0.40
MMP13 P45452 1/20 0.40
MAOB P27338 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 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
SCHEMBL18343124 0.85 HSD17B10 (0.45) HSD17B10KDM4EALDH1A1LMNAKMT2A
SCHEMBL25331751 0.83 HSD17B10 (0.55) HSD17B10PPARGPPARAKDM4EALDH1A1
SCHEMBL28958450 0.83 HSD17B10 (0.55) HSD17B10PPARGPPARAKDM4EALDH1A1
SCHEMBL25331749 0.83 HSD17B10 (0.55) HSD17B10PPARGPPARAKDM4EALDH1A1
SCHEMBL29452937 0.83 HSD17B10 (0.55) HSD17B10PPARGPPARAKDM4EALDH1A1
SCHEMBL7976795 0.82 LDHA (0.63) PPARGPPARAKDM4EALDH1A1LMNA
SCHEMBL11719466 0.82 LDHA (0.63) PPARGPPARAKDM4EALDH1A1LMNA
SCHEMBL8846721 0.82 PPARG (0.62) PPARGPPARAALDH1A1LMNAKMT2A
SCHEMBL8935857 0.82 PPARG (0.62) PPARGPPARAALDH1A1LMNAKMT2A
SCHEMBL17904962 0.82 PPARG (0.62) PPARGPPARAALDH1A1LMNAKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4056628-A Insecticidal esters of alpha-phenoxy alkanoic acids with substituted benzyl alcohols HOFFMANN-LA ROCHE INC. (US) 1977-11-01 US disclosed