SCHEMBL9637308

SCHEMBL9637308

[CH2]Oc1ccc(CCC(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.65
FFAR4 Q5NUL3 3/20 0.59
LMNA P02545 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
KEAP1 Q14145 1/20 0.57
SRD5A2 P31213 1/20 0.56
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
RXRG P48443 1/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50

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
Apteniol A SCHEMBL16431559 0.83 FFAR1 (0.89) FFAR1FFAR4LMNAL3MBTL1KEAP1
SCHEMBL69746 0.82 FFAR1 (0.81) FFAR1FFAR4LMNAL3MBTL1KEAP1
SCHEMBL2099787 0.82 ALDH1A1 (0.57) FFAR1LMNAL3MBTL1
SCHEMBL5898799 0.82 FFAR1 (0.72) FFAR1FFAR4LMNAL3MBTL1KEAP1
Hydrochloric Acid SCHEMBL25264643 0.80 FFAR1 (0.77) FFAR1FFAR4LMNAL3MBTL1KEAP1
SCHEMBL30792366 0.80 FFAR1 (0.81) FFAR1FFAR4LMNAL3MBTL1
SCHEMBL29903200 0.80 FFAR1 (0.65) FFAR1FFAR4LMNAL3MBTL1KEAP1
SCHEMBL274471 0.80 FFAR1 (0.81) FFAR1FFAR4LMNAL3MBTL1
SCHEMBL12469379 0.80 FFAR1 (0.65) FFAR1FFAR4LMNAL3MBTL1KEAP1
SCHEMBL7409326 0.79 CA2 (0.56) FFAR1LMNASRD5A2RXRARXRB

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-0494914-A1 NOVEL 2-SPIROCYCLOPROPYL CEPHALOSPORIN SULFONE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF SYNPHAR LABORATORIES INC. (CA) 1992-07-22 EP disclosed