SCHEMBL28272249

SCHEMBL28272249

CCCCCCCCCCCCC(C)C(N)(O)CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.45
OPRM1 P35372 1/20 0.43
FDPS P14324 4/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 2/20 0.39
CYP2D6 P10635 2/20 0.38
GMNN O75496 1/20 0.38
POLB P06746 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38
BLM P54132 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CETP P11597 1/20 0.38
HTT P42858 1/20 0.38
UBE2N P61088 1/20 0.38
LAP3 P28838 1/20 0.38
ACE2 Q9BYF1 1/20 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
SCHEMBL29265238 0.98 OPRM1 (0.44) SPHK1OPRM1FDPSLMNATP53
SCHEMBL8523721 0.83 OPRM1 (0.43) SPHK1OPRM1FDPSLMNATP53
SCHEMBL29265232 0.83 OPRM1 (0.43) SPHK1OPRM1FDPSLMNATP53
SCHEMBL6056355 0.83 SPHK1 (0.48) SPHK1OPRM1FDPSLMNATP53
SCHEMBL10944415 0.81 SPHK1 (0.47) SPHK1OPRM1FDPSLMNATP53
SCHEMBL238536 0.81 SPHK1 (0.47) SPHK1OPRM1FDPSLMNATP53
Hydrochloric Acid SCHEMBL10620737 0.81 SPHK1 (0.47) SPHK1OPRM1FDPSLMNATP53
SCHEMBL17201413 0.81 SPHK1 (0.47) SPHK1OPRM1FDPSLMNATP53
SCHEMBL1838534 0.81 SPHK1 (0.47) SPHK1OPRM1FDPSLMNATP53
SCHEMBL28359730 0.81 SPHK1 (0.47) SPHK1OPRM1FDPSLMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109803727-A Method for treating materials comprising amine salts of carboxylic acids having 4 to 10 carbon atoms 因诺斯佩克有限公司 2019-05-24 CN disclosed
CN-109310594-A Methods, compositions and uses related thereto 因诺斯佩克有限公司 2019-02-05 CN disclosed
CN-109152710-A Methods, compositions and uses related thereto 因诺斯佩克有限公司 2019-01-04 CN disclosed