SCHEMBL9049925

SCHEMBL9049925

CC(/C=C/c1ccccc1CO)=C\C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
RXRG P48443 1/20 0.51
PTGER3 P43115 7/20 0.47
PTGER2 P43116 7/20 0.47
PTGER4 P35408 5/20 0.47
MAPT P10636 5/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 3/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
EGFR P00533 1/20 0.45
TBXA2R P21731 4/20 0.45
PTGDR Q13258 4/20 0.45
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL9049927 1.00 RXRA (0.51) RXRARXRBRXRGPTGER3PTGER2
SCHEMBL6274122 0.83 PTGER3 (0.63) PTGER3PTGER2PTGER4MAPTHTT
SCHEMBL6274118 0.83 PTGER3 (0.63) PTGER3PTGER2PTGER4MAPTHTT
SCHEMBL26046363 0.82 LMNA (0.59) PTGER3PTGER2PTGER4MAPTKDM4E
SCHEMBL8479091 0.81 MAPT (0.62) RXRARXRBRXRGPTGER3PTGER2
SCHEMBL8479095 0.81 MAPT (0.62) RXRARXRBRXRGPTGER3PTGER2
SCHEMBL20390172 0.79 BACE1 (0.50) RXRARXRBRXRGPTGER3PTGER2
SCHEMBL3183029 0.76 MAPT (0.55) PTGER3PTGER2PTGER4MAPTALDH1A1
SCHEMBL3183044 0.76 MAPT (0.55) PTGER3PTGER2PTGER4MAPTALDH1A1
Acetic Acid SCHEMBL11694003 0.75 PDCD1 (0.38) PTGER3PTGER2PTGER4MAPTALDH1A1

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-0728742-A2 Novel retinoids F. HOFFMANN-LA ROCHE AG (CH) 1996-08-28 EP disclosed