SCHEMBL11720060

SCHEMBL11720060

COCc1ccc(CCC(=O)OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.50
CYP4A11 Q02928 2/20 0.50
F2RL1 P55085 1/20 0.49
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
IDO1 P14902 1/20 0.47
FFAR1 O14842 2/20 0.46
EPHX2 P34913 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL22922181 0.90 CYP4F2 (0.59) CYP4F2CYP4A11F2RL1ADRB2ADRB1
4-Hydroxyhydrocinnamic Acid Methyl Ester SCHEMBL95254 0.86 HDAC2 (0.53) CYP4F2CYP4A11F2RL1ADRB2ADRB1
SCHEMBL13140951 0.85 IDO1 (0.48) CYP4F2CYP4A11F2RL1ADRB2ADRB1
SCHEMBL13067169 0.85 ADRB2 (0.49) CYP4F2CYP4A11F2RL1ADRB2ADRB1
4-Hydroxyhydrocinnamic Acid Methyl Ester SCHEMBL30611554 0.85 HDAC2 (0.51) CYP4F2CYP4A11F2RL1ADRB2ADRB1
SCHEMBL29280912 0.84 CYP4F2 (0.70) CYP4F2CYP4A11FFAR1EPHX2HRH3
SCHEMBL8508610 0.82 CYP4F2 (0.53) CYP4F2CYP4A11F2RL1ADRB2ADRB1
SCHEMBL3679325 0.82 CYP4A11 (0.72) CYP4F2CYP4A11F2RL1ADRB2ADRB1
SCHEMBL2569441 0.82 L3MBTL1 (0.55) CYP4F2CYP4A11F2RL1ADRB2ADRB1
SCHEMBL1410420 0.82 CYP4A11 (0.56) CYP4F2CYP4A11F2RL1ADRB2ADRB1

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-4032533-A PROSTAGLANDIN MIMICS OR ANTAGONISTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-06-28 US disclosed