SCHEMBL14724729

SCHEMBL14724729

CCC(COC)COc1ccc(C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 6/20 0.56
MAPK1 P28482 1/20 0.54
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54
PKM P14618 1/20 0.51
RARB P10826 4/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
PLA2G4A P47712 1/20 0.48

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
SCHEMBL5471637 0.82 PLA2G4B (0.60) PLA2G4BMAPK1TP53TSHRRARB
SCHEMBL10780882 0.81 MAPK1 (0.71) PLA2G4BMAPK1TP53TSHRPKM
SCHEMBL9335058 0.79 PLA2G4B (0.54) PLA2G4BMAPK1TP53TSHRPKM
SCHEMBL9335053 0.79 PLA2G4B (0.54) PLA2G4BMAPK1TP53TSHRPKM
SCHEMBL7696449 0.79 MAPT (0.66) PLA2G4BMAPK1TP53TSHRPKM
SCHEMBL8414525 0.79 PLA2G4B (0.68) PLA2G4BMAPK1TP53TSHRPKM
SCHEMBL7696448 0.79 MAPT (0.66) PLA2G4BMAPK1TP53TSHRPKM
Piperidine SCHEMBL15405706 0.79 PLA2G4B (0.47) PLA2G4BMAPK1TP53TSHRPKM
SCHEMBL9741266 0.77 PKM (0.53) PLA2G4BMAPK1TP53TSHRPKM
SCHEMBL15602782 0.76 ALDH1A1 (0.55) PLA2G4BMAPK1TP53TSHRRARB

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
EP-1803773-B1 POLYMERIZABLE LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL FILM MADE FROM THE COMPOSITION NIPPON OIL CORP (JP) 2013-02-27 EP disclosed