SCHEMBL10399248

SCHEMBL10399248

Cc1ccc(COC(O)CO)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.47
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
MAOB P27338 2/20 0.39
PARP10 Q53GL7 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP12 P39900 1/20 0.37
KCNH2 Q12809 1/20 0.37
IDO1 P14902 1/20 0.37
CASP3 P42574 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
CYP1A2 P05177 2/20 0.36

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
SCHEMBL2223254 0.79 CA1 (0.47) AGXTCA1CA2CA9IDO1
SCHEMBL2182396 0.79 CA1 (0.47) AGXTCA1CA2CA9IDO1
SCHEMBL17680420 0.78 PPARG (0.43) AGXTCA1NPC1RAB9ASMN1; SMN2
SCHEMBL14178157 0.78 AGXT (0.48) AGXTCA1CA2CA9NPC1
SCHEMBL14136028 0.78 AGXT (0.48) AGXTCA1CA2CA9NPC1
SCHEMBL407132 0.74 AGXT (0.54) AGXTCA1CA2CA9NPC1
SCHEMBL29599465 0.74 AGXT (0.54) AGXTCA1CA2CA9NPC1
SCHEMBL15219560 0.73 CA1 (0.50) AGXTCA1CA2CA9RAB9A
SCHEMBL16270968 0.73 CA1 (0.50) AGXTCA1CA2CA9RAB9A
SCHEMBL26505565 0.73 CA1 (0.50) AGXTCA1CA2CA9RAB9A

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-4904706-A SCORCH RESISTANCE, MECHANICAL PROPERTIES, HEAT FUSIBLE DAINIPPON INK AND CHEMICALS, INC. (JP) 1990-02-27 US claimed