SCHEMBL7750830

SCHEMBL7750830

CCCCCCCCCCCCCCCCCCNC(=O)C(=O)NC(=O)CCP(=O)(OCCCC)OCCCC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.43
LPAR1 Q92633 3/20 0.41
LPAR2 Q9HBW0 3/20 0.41
ENPP2 Q13822 1/20 0.41
NAAA Q02083 1/20 0.41
LPAR3 Q9UBY5 5/20 0.41
PLA2G2A P14555 1/20 0.40
EPHX1 P07099 5/20 0.40
S1PR2 O95136 2/20 0.39
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 2/20 0.39
S1PR5 Q9H228 1/20 0.39
FAAH O00519 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL8589706 1.00 CASP2 (0.43) CASP2LPAR1LPAR2ENPP2NAAA
SCHEMBL7747754 0.91 CASP2 (0.44) CASP2LPAR1LPAR2ENPP2NAAA
SCHEMBL7747763 0.82 EPHX1 (0.50) CASP2LPAR1LPAR2ENPP2NAAA
SCHEMBL7743599 0.81 EPHX1 (0.49) CASP2NAAALPAR3EPHX1S1PR2
SCHEMBL7743727 0.77 EPHX1 (0.59) EPHX1S1PR2S1PR1S1PR3S1PR5
SCHEMBL7747761 0.77 CASP2 (0.59) CASP2LPAR1LPAR2ENPP2NAAA
SCHEMBL7747982 0.77 CASP2 (0.47) CASP2LPAR1LPAR2ENPP2NAAA
SCHEMBL28916250 0.76 HSP90AA1 (0.55) LPAR1LPAR2ENPP2LPAR3EPHX1
SCHEMBL10874643 0.76 LPAR1 (0.42) LPAR1LPAR2ENPP2NAAALPAR3
SCHEMBL28916646 0.74 HSP90AA1 (0.52) LPAR1LPAR2LPAR3

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-6184180-B1 COMPRISES SUPPORT, REVERSIBLE HEAT-SENSITIVE RECORDING LAYER CONTAINING DYE PRECURSOR WHICH IS COLORLESS OR A PALE COLOR, COLOR DEVELOPER CAPABLE OF CAUSING REVERSIBLE CHANGE IN COLOR DENSITY OF DYE DUE TO DIFFERENCE IN COOLING RATE MITSUBISHI PAPER MILLS LIMITED (JP) 2001-02-06 US disclosed