SCHEMBL7557652

SCHEMBL7557652

C=C(CP(=O)(O)CCCCC)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 3/20 0.45
LPAR2 Q9HBW0 1/20 0.45
CETP P11597 4/20 0.42
GABBR2 O75899 1/20 0.41
GABRR1 P24046 1/20 0.41
GABBR1 Q9UBS5 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.35
THRB P10828 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
AKR1B1 P15121 1/20 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
SCHEMBL9714264 0.80 LPAR3 (0.52) LPAR3LPAR2CETPGABBR2GABRR1
SCHEMBL10497436 0.75 CETP (0.40) LPAR3LPAR2CETPTRPM8THRB
SCHEMBL37982 0.75 LPAR3 (0.67) LPAR3LPAR2CETPGABBR2GABRR1
SCHEMBL1315772 0.74 GABBR2 (0.54) LPAR3LPAR2CETPGABBR2GABRR1
Ethylene SCHEMBL17959159 0.73 LPAR3 (0.65) LPAR3LPAR2CETPGABBR2GABRR1
SCHEMBL970167 0.73 LPAR3 (0.71) LPAR3LPAR2CETPGABBR2GABRR1
SCHEMBL6227726 0.73 LPAR3 (0.71) LPAR3LPAR2CETPGABBR2GABRR1
SCHEMBL5984044 0.73 LPAR3 (0.71) LPAR3LPAR2CETPGABBR2GABRR1
SCHEMBL968792 0.73 LPAR3 (0.71) LPAR3LPAR2CETPGABBR2GABRR1
SCHEMBL672010 0.73 LPAR3 (0.64) LPAR3LPAR2CETPGABBR2GABRR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6399814-B1 ADDING WATER AT CONTROLLED SATE SOLUTIA INC. 2002-06-04 US claimed
WO-2001070752-A1 PROCESS FOR THE PREPARATION OF 2-CARBOXY-ALKYL(ARYL)PHOSPHONIC ACIDS AND ANHYDRIDE(S) SOLUTIA INC. (US) 2001-09-27 WO claimed
US-6399814-B1 ADDING WATER AT CONTROLLED SATE SOLUTIA INC. 2002-06-04 US disclosed
US-6399814-B1 ADDING WATER AT CONTROLLED SATE SOLUTIA INC. 2002-06-04 US disclosed
US-6399814-B1 ADDING WATER AT CONTROLLED SATE SOLUTIA INC. 2002-06-04 US disclosed
WO-2001070752-A1 PROCESS FOR THE PREPARATION OF 2-CARBOXY-ALKYL(ARYL)PHOSPHONIC ACIDS AND ANHYDRIDE(S) SOLUTIA INC. (US) 2001-09-27 WO disclosed
WO-2001070752-A1 PROCESS FOR THE PREPARATION OF 2-CARBOXY-ALKYL(ARYL)PHOSPHONIC ACIDS AND ANHYDRIDE(S) SOLUTIA INC. (US) 2001-09-27 WO disclosed