SCHEMBL28890691

SCHEMBL28890691

CCC(C)(C(=O)O)c1ccc(F)cc1.O=C(O)CCc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.54
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
NR1H4 Q96RI1 2/20 0.46
EPHX2 P34913 1/20 0.46
FFAR4 Q5NUL3 4/20 0.44
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KEAP1 Q14145 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL28410527 0.87 FFAR1 (0.55) FFAR1RXRARXRBRXRGNR1H4
SCHEMBL5794046 0.86 KDM4E (0.44) L3MBTL1KDM4EHPGD
SCHEMBL28410584 0.86 FFAR1 (0.50) FFAR1RXRARXRBRXRGNR1H4
SCHEMBL28402554 0.83 FFAR1 (0.58) FFAR1RXRARXRBRXRGNR1H4
SCHEMBL28404941 0.82 FFAR1 (0.50) FFAR1RXRARXRBRXRGNR1H4
Trifluoroacetic Acid SCHEMBL7394332 0.80 FFAR1 (0.69) FFAR1FFAR4KEAP1
SCHEMBL193318 0.79 FFAR1 (0.79) FFAR1FFAR4KEAP1
Hydrochloric Acid SCHEMBL28568409 0.78 FFAR1 (0.76) FFAR1FFAR4KEAP1
Hydrochloric Acid SCHEMBL29184696 0.78 FFAR1 (0.76) FFAR1FFAR4KEAP1
SCHEMBL28533875 0.77 SLC13A5 (0.41) RXRARXRBRXRGNR1H4EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111087306-B Method for preparing organic carboxylic ester by aryl bidentate phosphine ligand combined catalysis 南京诚志清洁能源有限公司 2021-08-03 CN disclosed
CN-111087306-A Method for preparing organic carboxylic ester by aryl bidentate phosphine ligand combined catalysis 南京诚志清洁能源有限公司 2020-05-01 CN disclosed