SCHEMBL27952913

SCHEMBL27952913

COP(=O)(OC)OCCc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
HRH1 P35367 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
ALOX15 P16050 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
FDPS P14324 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KCNA5 P22460 1/20 0.41
MMP9 P14780 2/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
ADAM17 P78536 1/20 0.40
ADAM9 Q13443 1/20 0.40

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
SCHEMBL27863254 0.86 CYP1A2 (0.44) CA12CA1CA2CA9HRH3
Metyridine SCHEMBL30481621 0.81 HRH1 (0.55) CA12CA1CA2CA9HRH3
Metyridine SCHEMBL167318 0.81 HRH1 (0.55) CA12CA1CA2CA9HRH3
SCHEMBL2956244 0.81 CA12 (0.45) CA12CA1CA2CA9HRH3
SCHEMBL11907708 0.80 FDPS (0.51) CA12CA1CA2CA9HRH3
SCHEMBL9170963 0.78 CA12 (0.47) CA12CA1CA2CA9HRH3
SCHEMBL9111289 0.77 TSHR (0.44) CA12CA1CA2CA9HRH3
SCHEMBL9106810 0.77 HRH3 (0.51) HRH3HRH1ALDH1A1LMNATAAR1
SCHEMBL29436004 0.75 CA12 (0.49) CA12CA1CA2CA9HRH3
SCHEMBL18787609 0.74 CA2 (0.43) CA1CA2CA9LMNATDP1

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
CN-102574989-B Polymer purification method and polymer MITSUI CHEMICALS INC 2014-03-26 CN disclosed