SCHEMBL3689927

SCHEMBL3689927

CCCCCCCCCCCCCCCCCCNC(=O)C1(C(O)CCCCCCCCCCCCCCC)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 6/20 0.49
EPHX1 P07099 9/20 0.46
GNAI3 P08754 1/20 0.43
GNAO1 P09471 1/20 0.43
GNAI1 P63096 1/20 0.43
CASP2 P42575 1/20 0.42
EPHX2 P34913 1/20 0.42
RRM1 P23921 1/20 0.42
DPP7 Q9UHL4 1/20 0.41

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
SCHEMBL3294375 0.78 GPR84 (0.50)
SCHEMBL17099453 0.78 GPR84 (0.50)
SCHEMBL7061809 0.77 GPR84 (0.44) SPHK1EPHX1
SCHEMBL1239842 0.73 GPR84 (0.41)
SCHEMBL26017783 0.73 SPHK1 (0.57) SPHK1EPHX1CASP2
SCHEMBL16618457 0.71 SPHK1 (0.59) SPHK1EPHX1CASP2
SCHEMBL22033716 0.71 GPR84 (0.39)
SCHEMBL3427647 0.71 SPHK1 (0.54) SPHK1EPHX1CASP2
SCHEMBL21941459 0.71 SPHK1 (0.54) SPHK1EPHX1CASP2
SCHEMBL8333228 0.70 SPHK1 (0.54) SPHK1EPHX1CASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1826225-B1 Thermoplastically processable polyurethane, method for its manufacture and its application BAYER MATERIALSCIENCE AG (DE) 2010-06-16 EP disclosed
EP-1826225-A2 Thermoplastically processable polyurethane, method for its manufacture and its application Bayer MaterialScience AG (DE) 2007-08-29 EP disclosed