SCHEMBL6544811

SCHEMBL6544811

CCCCC(CCCCCCCCCCCCCCCCc1ccc(O)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
ESR1 P03372 2/20 0.62
ADRA2A P08913 2/20 0.62
ADORA3 P0DMS8 2/20 0.62
TACR2 P21452 2/20 0.62
SLC6A2 P23975 2/20 0.62
SLC6A4 P31645 2/20 0.62
SLC6A3 Q01959 2/20 0.62
HSD17B10 Q99714 2/20 0.62
KDM4E B2RXH2 1/20 0.62
LMNA P02545 1/20 0.62
SHBG P04278 1/20 0.62
TP53 P04637 1/20 0.62
CYP3A4 P08684 1/20 0.62
HSPD1 P10809 1/20 0.62
ADRB3 P13945 1/20 0.62
HTR2C P28335 1/20 0.62
HSPE1 P61604 1/20 0.62
HIF1A Q16665 1/20 0.62
TST Q16762 1/20 0.62

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
SCHEMBL5699267 0.91 ALDH1A1 (0.57) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL5699299 0.91 ALDH1A1 (0.57) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL28907461 0.91 TRPV1 (0.52) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL8845789 0.88 PTGES (0.56) MAPTCA2MAPK1
SCHEMBL8845872 0.88 PTGES (0.56) MAPTCA2MAPK1
SCHEMBL355603 0.84 GRIK1 (0.55) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL30839920 0.84 GRIK1 (0.55) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL5385323 0.84 GRIK1 (0.55) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL10869949 0.84 GRIK1 (0.55) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL11305180 0.84 GRIK1 (0.55) ALDH1A1S1PR2S1PR1S1PR3S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004039877-A2 STABILISING AGENT MIXTURE BASF AKTIENGESELLSCHAFT (DE) 2004-05-13 WO disclosed
EP-1377625-A1 POLYCARBONATE HAVING A PRONOUNCED SHEAR THINNING BEHAVIOR Bayer Aktiengesellschaft (DE) 2004-01-07 EP disclosed
EP-1263856-A1 STABILIZER COMPOSITION BASF AKTIENGESELLSCHAFT (DE) 2002-12-11 EP disclosed
WO-2002077065-A1 POLYCARBONATE HAVING A PRONOUNCED SHEAR THINNING BEHAVIOR BAYER AKTIENGESELLSCHAFT (DE) 2002-10-03 WO disclosed
WO-2001057122-A1 STABILIZER COMPOSITION BASF AKTIENGESELLSCHAFT (DE) 2001-08-09 WO disclosed