SCHEMBL10874643

SCHEMBL10874643

CCCCOP(=O)(CCC(=O)NCO)OCCCC

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.42
LPAR2 Q9HBW0 4/20 0.42
ENPP2 Q13822 1/20 0.42
CYP3A4 P08684 1/20 0.41
CNR1 P21554 1/20 0.38
NAAA Q02083 1/20 0.38
LPAR3 Q9UBY5 3/20 0.37

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
SCHEMBL11704404 0.90 LPAR1 (0.38) LPAR1LPAR2ENPP2CNR1NAAA
SCHEMBL10606477 0.83 PPARD (0.53) LPAR1LPAR2ENPP2
SCHEMBL10874148 0.80 ALDH1A1 (0.38)
SCHEMBL28916646 0.79 HSP90AA1 (0.52) LPAR1LPAR2CYP3A4LPAR3
SCHEMBL7747763 0.79 EPHX1 (0.50) LPAR1LPAR2ENPP2NAAALPAR3
SCHEMBL11494792 0.78 CYP3A4 (0.45) LPAR1LPAR2CYP3A4LPAR3
SCHEMBL4267682 0.78 CYP3A4 (0.48) CYP3A4
SCHEMBL28916250 0.77 HSP90AA1 (0.55) LPAR1LPAR2ENPP2LPAR3
SCHEMBL4583907 0.76 CYP3A4 (0.47) LPAR1LPAR2CYP3A4CNR1LPAR3
SCHEMBL7750830 0.76 CASP2 (0.43) LPAR1LPAR2ENPP2NAAALPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4585703-A MELAMINE RESIN AND PHOSPHONATE FIREPROOFING AGENT DAINIPPON INK & CHEMICALS, INC. (JP) 1986-04-29 US disclosed