SCHEMBL8057944

SCHEMBL8057944

CCC(=O)c1cc(C)c(OC(Br)c2ccccc2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.45
PPARG P37231 4/20 0.38
ABCB1 P08183 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 3/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HPGD P15428 2/20 0.34

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
SCHEMBL6811455 0.76 PPARA (0.71) PPARAPPARGSMN1; SMN2MAPTL3MBTL1
SCHEMBL586226 0.73 SMN1; SMN2 (0.51) PPARAPPARGABCB1SMN1; SMN2MAPT
SCHEMBL6962227 0.72 ACHE (0.50) SMN1; SMN2MAPTLMNAHTTALDH1A1
SCHEMBL8059986 0.72 PPARA (0.41) PPARAPPARGABCB1SMN1; SMN2L3MBTL1
SCHEMBL9720571 0.72 HMGCR (0.56) TAS1R3TAS1R1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL6811644 0.69 PPARA (0.52) PPARAPPARGSMN1; SMN2MAPTL3MBTL1
SCHEMBL7953584 0.67 HSP90AB1 (0.45) SMN1; SMN2MAPTL3MBTL1LMNAHTT
SCHEMBL13284211 0.67 HMGCR (0.68) SMN1; SMN2MAPTL3MBTL1HTTALDH1A1
SCHEMBL29254632 0.67 SMN1; SMN2 (0.47) SMN1; SMN2MAPTL3MBTL1LMNAHTT
SCHEMBL31650785 0.66 CES2 (0.44) LMNAALDH1A1HPGDKDM4E

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-6046213-A Neuroprotective 3-(piperidinyl-1)-chroman-4,7-diol and 1-(4-hydroxyphenyl)-2-(piperidinyl-1)-alkanol derivatives PFIZER INC. (US) 2000-04-04 US disclosed