SCHEMBL23471012

SCHEMBL23471012

O=C(NCCO)c1ccc(COI)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 2/20 0.58
SPHK1 Q9NYA1 1/20 0.58
MMP13 P45452 1/20 0.53
HPGD P15428 3/20 0.49
POLB P06746 2/20 0.49
HTT P42858 1/20 0.49
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 1/20 0.48
NPC1 O15118 1/20 0.45
CYP1A2 P05177 1/20 0.45
GAA P10253 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45
GFER P55789 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL19634295 0.83 SPHK2 (0.58) SPHK2SPHK1MMP13HPGDPOLB
SCHEMBL620074 0.82 POLB (0.66) SPHK2SPHK1MMP13HPGDPOLB
SCHEMBL21015330 0.80 SPHK2 (0.54) SPHK2SPHK1MMP13HPGDPOLB
SCHEMBL8142775 0.78 POLB (0.58) SPHK2SPHK1MMP13HPGDPOLB
SCHEMBL8404665 0.77 PLK1 (0.61) SPHK2SPHK1MMP13HPGDPOLB
SCHEMBL5803734 0.77 HPGD (0.53) SPHK2SPHK1MMP13HPGDPOLB
SCHEMBL8982300 0.77 POLB (0.57) SPHK2SPHK1MMP13HPGDPOLB
SCHEMBL23146038 0.77 HPGD (0.53) SPHK2SPHK1MMP13HPGDPOLB
SCHEMBL8404664 0.77 HDAC3 (0.61) SPHK2SPHK1MMP13HPGDPOLB
SCHEMBL5803733 0.77 HPGD (0.53) SPHK2SPHK1MMP13HPGDPOLB

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
EP-3831841-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T Global Inc. (US) 2021-06-09 EP disclosed