SCHEMBL9146196

SCHEMBL9146196

CC(C)OCCOC(=O)Nc1cccc(O)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.45
PLK3 Q9H4B4 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.38
BID P55957 2/20 0.37
BCL2L1 Q07817 2/20 0.37
MCL1 Q07820 2/20 0.37
BAK1 Q16611 2/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 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
SCHEMBL8652584 0.86 PLK1 (0.43) PLK1PLK3SMN1; SMN2CA12CA1
SCHEMBL8654580 0.84 HTT (0.51) PLK1PLK3SMN1; SMN2CA12CA1
SCHEMBL8655078 0.84 PLK1 (0.51) PLK1PLK3SMN1; SMN2CA12CA1
SCHEMBL8653008 0.82 SMN1; SMN2 (0.56) PLK1PLK3SMN1; SMN2ALDH1A1LMNA
SCHEMBL9150540 0.81 CA12 (0.44) PLK1PLK3SMN1; SMN2CA12CA1
SCHEMBL8657531 0.81 ALDH1A1 (0.56) PLK1PLK3SMN1; SMN2CA12CA1
SCHEMBL8652685 0.81 CA12 (0.56) PLK1PLK3SMN1; SMN2CA12CA1
SCHEMBL9145624 0.81 NPC1 (0.59) PLK1PLK3SMN1; SMN2CA12CA1
SCHEMBL8652836 0.81 PLK1 (0.57) PLK1PLK3SMN1; SMN2ALDH1A1LMNA
SCHEMBL8658169 0.80 PLK1 (0.59) PLK1PLK3SMN1; SMN2ALDH1A1BID

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-5476957-A Dye for heat sensitive recording MITSUI TOATSU CHEMICALS, INC. (JP) 1995-12-19 US disclosed