SCHEMBL4894553

SCHEMBL4894553

C=CC(=O)COc1ccc(C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
PLA2G4B P0C869 8/20 0.56
PKM P14618 1/20 0.53
HTT P42858 1/20 0.51
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
SRD5A2 P31213 1/20 0.49
PLA2G4A P47712 1/20 0.49
MAPK1 P28482 1/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL9615542 0.89 ALOX15 (0.45) ALDH1A1L3MBTL1HTT
SCHEMBL16450587 0.84 L3MBTL1 (0.58) ALDH1A1L3MBTL1HTT
SCHEMBL17754304 0.83 SMN1; SMN2 (0.44) ALDH1A1L3MBTL1HTTSRD5A2
SCHEMBL5497407 0.83 ALOX15 (0.61) ALDH1A1L3MBTL1HTT
SCHEMBL17754299 0.83 KMT2A (0.46) ALDH1A1L3MBTL1
SCHEMBL2107828 0.80 ALDH1A1 (0.65) ALDH1A1L3MBTL1PLA2G4BPKMHTT
SCHEMBL10029818 0.80 LMNA (0.45) L3MBTL1HTTSRD5A2MAPK1
SCHEMBL17754303 0.79 KMT2A (0.43) SRD5A2TP53
SCHEMBL495530 0.79 HTT (0.63) ALDH1A1L3MBTL1PLA2G4BPKMHTT
SCHEMBL27894195 0.79 HTT (0.63) ALDH1A1L3MBTL1PLA2G4BPKMHTT

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-20080174646-A1 Ink composition, ink for inkjet recording, ink set for inkjet recording, inkjet recording apparatus and inkjet recording method FUJIFILM CORPORATION (JP) 2008-07-24 US disclosed