SCHEMBL6935925

SCHEMBL6935925

CCCc1ccc(OCCCBr)c(CCC)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PPARG P37231 2/20 0.43
PPARD Q03181 2/20 0.43
PPARA Q07869 2/20 0.43
LMNA P02545 1/20 0.43
CYP2C9 P11712 1/20 0.43
NFKB1 P19838 1/20 0.43
BLM P54132 1/20 0.43
GRM2 Q14416 1/20 0.43
CYSLTR2 Q9NS75 4/20 0.43
CYSLTR1 Q9Y271 4/20 0.43
HDAC3 O15379 4/20 0.43
HDAC4 P56524 4/20 0.43
HDAC1 Q13547 4/20 0.43
HDAC7 Q8WUI4 4/20 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
SCHEMBL5050181 0.86 CYP1A2 (0.67) CYP1A2MAPTMEN1TSHRKMT2A
SCHEMBL6933735 0.81 PPARG (0.52) CYP1A2MAPTPPARGPPARDPPARA
SCHEMBL4343526 0.80 PPARG (0.67) CYP1A2MAPTMEN1TSHRKMT2A
SCHEMBL6935920 0.79 PPARG (0.54) CYP1A2MAPTPPARGPPARDPPARA
SCHEMBL9377235 0.79 PPARG (0.50) CYP1A2MAPTPPARGPPARDPPARA
SCHEMBL6936012 0.78 CYSLTR2 (0.54) CYP1A2MAPTPPARGPPARDPPARA
SCHEMBL9042867 0.78 PPARG (0.56) CYP1A2MAPTPPARGPPARDPPARA
SCHEMBL10745620 0.77 PPARG (0.46) CYP1A2MAPTMEN1TSHRKMT2A
SCHEMBL6938042 0.77 CYSLTR2 (0.53) CYP1A2MAPTPPARGPPARDPPARA
SCHEMBL8442352 0.77 PRKCI (0.37) CYP1A2MAPTMEN1TSHRKMT2A

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
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP disclosed