SCHEMBL7775830

SCHEMBL7775830

CC/C=C/CCOC(OCC/C=C/CC)OCC/C=C/CC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
LPAR2 Q9HBW0 3/20 0.35
LPAR3 Q9UBY5 3/20 0.35
LPAR1 Q92633 1/20 0.35
ALDH1A1 P00352 2/20 0.32
CYP19A1 P11511 2/20 0.32
RXRA P19793 2/20 0.32
PPARG P37231 2/20 0.32
OXER1 Q8TDS5 2/20 0.32
FFAR1 O14842 1/20 0.32
MAPT P10636 1/20 0.32
PTGS1 P23219 2/20 0.31
ADORA3 P0DMS8 2/20 0.31
NR1I2 O75469 1/20 0.31
PGR P06401 1/20 0.31
PTGS2 P35354 1/20 0.31
PDE4D Q08499 1/20 0.31
F7 P08709 1/20 0.30
F3 P13726 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3152868 1.00 THRB (0.36) THRBLPAR2LPAR3LPAR1ALDH1A1
SCHEMBL3152880 1.00 THRB (0.36) THRBLPAR2LPAR3LPAR1ALDH1A1
SCHEMBL8909913 0.88 LPAR2 (0.32) LPAR2LPAR3LPAR1
SCHEMBL3508513 0.82 LMNA (0.39) LPAR2LPAR3LPAR1ALDH1A1CYP19A1
SCHEMBL3270977 0.82 LMNA (0.39) LPAR2LPAR3LPAR1ALDH1A1CYP19A1
SCHEMBL16902072 0.82 LPAR2 (0.34) LPAR2LPAR3LPAR1ALDH1A1CYP19A1
SCHEMBL16902064 0.82 LPAR2 (0.34) LPAR2LPAR3LPAR1ALDH1A1CYP19A1
SCHEMBL3163745 0.81 LPAR2 (0.52) LPAR2LPAR3LPAR1ALDH1A1CYP19A1
SCHEMBL3163756 0.81 LPAR2 (0.52) LPAR2LPAR3LPAR1ALDH1A1CYP19A1
SCHEMBL7632447 0.81 LPAR2 (0.52) LPAR2LPAR3LPAR1ALDH1A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1123282-A2 FRAGRANCE PRO-ACCORDS AND ALDEHYDE AND KETONE FRAGRANCE LIBRARIES THE PROCTER & GAMBLE COMPANY (US) 2001-08-16 EP disclosed
WO-2000024721-A2 FRAGRANCE PRO-ACCORDS AND ALDEHYDE AND KETONE FRAGRANCE LIBRARIES THE PROCTER & GAMBLE COMPANY (US) 2000-05-04 WO disclosed
EP-0977549-A1 PERFUMES HAVING ODOR LONGEVITY BENEFITS THE PROCTER & GAMBLE COMPANY (US) 2000-02-09 EP disclosed
EP-0977548-A1 FRAGRANCE PRO-ACCORDS THE PROCTER & GAMBLE COMPANY (US) 2000-02-09 EP disclosed
WO-1998047478-A1 PERFUMES HAVING ODOR LONGEVITY BENEFITS THE PROCTER & GAMBLE COMPANY (US) 1998-10-29 WO disclosed
WO-1998047477-A1 FRAGRANCE PRO-ACCORDS THE PROCTER & GAMBLE COMPANY (US) 1998-10-29 WO disclosed