SCHEMBL11278615

SCHEMBL11278615

C=CCc1cc(CC(=O)O)cc(CC=C)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
POLB P06746 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
RGS12 O14924 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
APEX1 P27695 1/20 0.40
THPO P40225 1/20 0.40
BLM P54132 1/20 0.40
GNAI1 P63096 1/20 0.40
PMP22 Q01453 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA2 P00918 2/20 0.39

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
SCHEMBL10389545 0.89 PTGDR (0.38) PTGDRPTGDR2POLBKDM4EMAPT
SCHEMBL13347362 0.85 PTGDR (0.42) PTGDRPTGDR2POLBKDM4EMAPT
SCHEMBL7937253 0.82 KEAP1 (0.41) PTGDRPTGDR2KDM4EGABRA1GABRB2
SCHEMBL8422007 0.81 GAA (0.58) POLBKDM4EMAPTTDP1RGS12
SCHEMBL13347366 0.80 AKR1B1 (0.43) PTGDRPTGDR2POLBKDM4EMAPT
SCHEMBL2461750 0.80 XDH (0.48) POLBKDM4EMAPTGAAHPGD
SCHEMBL7042257 0.80 HSP90AB1 (0.54) POLBKDM4EMAPTGAAHPGD
SCHEMBL11660801 0.78 GABRA1 (0.45) POLBKDM4EMAPTGAAHPGD
SCHEMBL9489328 0.78 DHFR (0.48) POLBKDM4EMAPTGAAHPGD
SCHEMBL4373039 0.77 ALDH1A1 (0.52) POLBKDM4EMAPTTDP1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0009866-B1 PHENOLIC ESTERAMIDE ANTIOXIDANTS AND THEIR USE UNIROYAL, INC. (US) 1982-08-04 EP disclosed
US-4305868-A Phenolic esteramide antioxidants UNIROYAL, INC. (US) 1981-12-15 US disclosed
US-4304714-A Polyfunctional phenolic oxamide antioxidants UNIROYAL, INC. (US) 1981-12-08 US disclosed
EP-0009866-A1 Phenolic esteramide antioxidants and their use UNIROYAL, INC. (US) 1980-04-16 EP disclosed