SCHEMBL2790775

SCHEMBL2790775

C=C(C(=O)O)C(CC)P(=O)(OCCCC)OCCCC

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
GAA P10253 1/20 0.38
LPAR3 Q9UBY5 5/20 0.37
LPAR1 Q92633 3/20 0.37
LPAR2 Q9HBW0 3/20 0.37
TSHR P16473 2/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL2364791 0.78 LPAR3 (0.48) CYP3A4LPAR3LPAR1LPAR2
SCHEMBL23778480 0.71 LAP3 (0.43) TSHRHPGD
Methacrylic Acid SCHEMBL28097654 0.70 CYP3A4 (0.65) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL11687397 0.70 CYP3A4 (0.52) CYP3A4GAALPAR3LPAR1LPAR2
SCHEMBL2690161 0.69 CA2 (0.38) TSHRHPGDALDH1A1
SCHEMBL11799423 0.69 CYP3A4 (0.47) CYP3A4GAALPAR3LPAR1LPAR2
Methacrylic Acid SCHEMBL2481844 0.69 CYP3A4 (0.47) CYP3A4LPAR3LPAR1LPAR2TSHR
Methacrylic Acid SCHEMBL27706342 0.69 LPAR3 (0.60) CYP3A4LPAR3LPAR1LPAR2TSHR
SCHEMBL14445604 0.69 CYP3A4 (0.47) CYP3A4GAALPAR3LPAR1LPAR2
SCHEMBL4449162 0.69 CYP3A4 (0.56) CYP3A4GAALPAR3LPAR1LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100162693-A1 METHOD OF REDUCING TORQUE RIPPLE IN HYDRAULIC MOTORS EVONIK ROHMAX ADDITIVES GMBH (DE) 2010-07-01 US disclosed
EP-2001980-A1 MOTOR FUEL COMPOSITIONS COMPRISING RENEWABLE RAW MATERIALS Evonik RohMax Additives GmbH (DE) 2008-12-17 EP disclosed
US-20080302422-A1 POWER OUTPUT IN HYDRAULIC SYSTEMS ROHMAX ADDITIVES GMBH (DE) 2008-12-11 US disclosed
WO-2007113035-A1 MOTOR FUEL COMPOSITIONS COMPRISING RENEWABLE RAW MATERIALS EVONIK ROHMAX ADDITIVES GMBH (DE) 2007-10-11 WO disclosed