SCHEMBL11786262

SCHEMBL11786262

CCCOc1ccc(C(N)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.52
SLC2A1 P11166 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ACACB O00763 4/20 0.47
ACACA Q13085 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
PLK1 P53350 1/20 0.46
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 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
SCHEMBL12733003 0.84 LTA4H (0.47) LTA4HSLC2A1CA12CA1CA2
SCHEMBL28886897 0.82 LTA4H (0.53) LTA4HMEN1KMT2AACACBACACA
SCHEMBL8285038 0.82 SLC2A1 (0.51) LTA4HSLC2A1CA12CA1CA2
SCHEMBL25101010 0.81 TAAR1 (0.50) LTA4HSLC2A1CA12CA1CA2
SCHEMBL12732993 0.81 SLC2A1 (0.55) LTA4HSLC2A1CA12CA1CA2
SCHEMBL8284241 0.81 SLC2A1 (0.58) LTA4HSLC2A1CA12CA1CA2
SCHEMBL9498777 0.81 LTA4H (0.52) LTA4HCA12CA1CA2CA7
SCHEMBL18477952 0.81 LTA4H (0.52) LTA4HMEN1KMT2AACACBACACA
SCHEMBL27571812 0.81 LTA4H (0.52) LTA4HCA12CA1CA2CA7
SCHEMBL8546351 0.80 SLC2A1 (0.40) SLC2A1ACACBACACAL3MBTL1SMN1; SMN2

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-3952058-A Sweetener DYNAPOL (US) 1976-04-20 US disclosed