SCHEMBL22449131

SCHEMBL22449131

CC(C)(C)c1ccc(-c2cnc(-c3ccc(CCC(=O)O)cc3)nc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 2/20 0.62
▸ RXRB P28702 2/20 0.62
▸ RXRG P48443 2/20 0.62
▸ NR1H4 Q96RI1 7/20 0.56
▸ EPHX2 P34913 1/20 0.56
▸ FFAR1 O14842 3/20 0.50
▸ MAP4K4 O95819 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.44
▸ XDH P47989 1/20 0.44
▸ SLC13A5 Q86YT5 2/20 0.44
▸ ESRRG P62508 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
SCHEMBL22449177 0.87 NR1H4 (0.49) RXRARXRBRXRGNR1H4EPHX2
SCHEMBL19544331 0.85 RXRA (0.44) RXRARXRBRXRGNR1H4EPHX2
SCHEMBL7796725 0.85 FFAR1 (0.54) RXRARXRBRXRGFFAR1MAP4K4
SCHEMBL846131 0.82 NR1H4 (0.71) RXRARXRBRXRGNR1H4EPHX2
SCHEMBL7796867 0.81 RARB (0.61) FFAR1
SCHEMBL15020126 0.81 GRB2 (0.49) —
SCHEMBL7799543 0.80 RARB (0.64) FFAR1
SCHEMBL7798318 0.79 RARB (0.55) RXRARXRBRXRGFFAR1MAP4K4
SCHEMBL14062481 0.79 NPC1 (0.54) NPSR1XDH
SCHEMBL22448959 0.79 ALDH1A1 (0.46) XDH

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-2791112-B1 CARBOXYLIC ACID DERIVATIVES COMPRISING FOUR CYCLES ACTING AS GLP-1 RECEPTOR MODULATORS FOR THERAPY OF DISEASES SUCH AS DIABETES CELGENE INT II SÀRL (CH) 2020-09-23 — — EP disclosed
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