SCHEMBL5889346

SCHEMBL5889346

CCCCCCCC/C=C\CCCCCCCCOC(C(O)CO)S(=O)(=O)O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
DGKA P23743 1/20 0.43
DEGS1 O15121 1/20 0.40
LPAR1 Q92633 2/20 0.40
LPAR2 Q9HBW0 2/20 0.40
LPAR3 Q9UBY5 2/20 0.40
PPARA Q07869 2/20 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
SCHEMBL5889348 0.90 USP2 (0.40) ALDH1A1CNR1CNR2
SCHEMBL10523596 0.78 ALDH1A1 (0.50) ALDH1A1CNR1CNR2LPAR1LPAR2
SCHEMBL9284913 0.77 ALDH1A1 (0.56) ALDH1A1CNR1CNR2DGKALPAR1
SCHEMBL28780221 0.76 PLA2G2C (0.41) ALDH1A1CNR1CNR2
SCHEMBL6150210 0.76 CNR1 (0.52) ALDH1A1CNR1CNR2DGKADEGS1
SCHEMBL6150630 0.76 CNR1 (0.52) ALDH1A1CNR1CNR2DGKADEGS1
SCHEMBL14374273 0.76 ALDH1A1 (0.63) ALDH1A1CNR1CNR2DGKALPAR1
SCHEMBL3433294 0.76 ALDH1A1 (0.63) ALDH1A1CNR1CNR2DGKALPAR1
SCHEMBL1735177 0.75 ALDH1A1 (0.55) ALDH1A1CNR1CNR2DGKADEGS1
SCHEMBL16086048 0.75 ALDH1A1 (0.55) ALDH1A1CNR1CNR2DGKADEGS1

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
US-6995130-B2 Blooming natural oil cleaning compositions CLARIANT FINANCE (BVI) LIMITED (VG) 2006-02-07 US claimed
WO-2005049777-A1 BLOOMING NATURAL OIL CLEANING COMPOSITIONS CLARIANT INTERNATIONAL LTD (CH) 2005-06-02 WO claimed
US-20050107278-A1 Blooming natural oil cleaning compositions CLARIANT INTERNATIONAL, LTD. 2005-05-19 US claimed
US-6864222-B1 Blooming natural oil cleaning compositions CLARIANT FINANCE (BVI) LIMITED (VG) 2005-03-08 US claimed
CN-1444644-A Articles comprising encapsulated compositions PROCTER & GAMBLE (US) 2003-09-24 CN disclosed