SCHEMBL29567262

SCHEMBL29567262

COc1ccc(Cc2ccc(CCC(=O)O)cc2)cc1C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.50
FFAR4 Q5NUL3 3/20 0.50
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
CYP26A1 O43174 1/20 0.47
CYP26B1 Q9NR63 1/20 0.47
PPARA Q07869 2/20 0.44
RARA P10276 1/20 0.43
RARB P10826 1/20 0.43
RARG P13631 1/20 0.43
FFAR2 O15552 1/20 0.43
PPARD Q03181 1/20 0.43
CA2 P00918 1/20 0.42
TBXAS1 P24557 1/20 0.42
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 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
SCHEMBL16516853 1.00 FFAR1 (0.50) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL7792665 0.92 FFAR1 (0.51) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL17911599 0.83 FFAR1 (0.48) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL7796119 0.80 GAA (0.64) RXRARXRBRXRGRARARARB
SCHEMBL7794917 0.80 FFAR1 (0.48) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL17911568 0.79 FFAR1 (0.55) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL3493151 0.79 S1PR1 (0.59) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL8765888 0.78 RARA (0.73) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL8765882 0.78 RARA (0.73) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL7792671 0.78 FFAR1 (0.47) FFAR1FFAR4RXRARXRBRXRG

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-3044216-B1 NOVEL AND SPECIFIC INHIBITORS OF CYTOCHROME P450 26 RETINOIC ACID HYDROXYLASE UNIV WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2022-02-23 EP claimed