SCHEMBL27637469

SCHEMBL27637469

COc1ccc(-c2ccc(CCC(=O)O)cc2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.59
FFAR4 Q5NUL3 1/20 0.59
RXRA P19793 1/20 0.54
RXRB P28702 1/20 0.54
RXRG P48443 1/20 0.54
KMT2A Q03164 2/20 0.52
PDE4A P27815 2/20 0.52
PDE4B Q07343 2/20 0.52
PDE4C Q08493 2/20 0.52
PDE4D Q08499 2/20 0.52
LTB4R Q15722 1/20 0.50
LDHA P00338 1/20 0.50
ACHE P22303 1/20 0.49
MEN1 O00255 1/20 0.49

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
SCHEMBL347209 0.87 FFAR4 (0.61) FFAR1FFAR4KMT2ALDHAMEN1
SCHEMBL2275943 0.86 KMT2A (0.51) KMT2APDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL3225386 0.85 FFAR4 (0.59) FFAR1FFAR4KMT2ALDHAMEN1
SCHEMBL5269289 0.84 GAA (0.61) RXRARXRBRXRGLDHA
SCHEMBL1566761 0.80 FFAR1 (0.73) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL7236351 0.80 FFAR1 (0.65) FFAR1FFAR4
SCHEMBL6028508 0.80 FFAR1 (0.48) FFAR1FFAR4KMT2APDE4APDE4B
SCHEMBL14066660 0.79 FFAR1 (0.87) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL3533619 0.79 FFAR1 (0.87) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL7236542 0.79 SLC13A5 (0.65) FFAR1FFAR4

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
CN-1724532-A Colorant compound XEROX CORP (US) 2006-01-25 CN disclosed