SCHEMBL3245915

SCHEMBL3245915

O=C(O)C12CC[C](CC1)CC2

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.35
GRM1 Q13255 2/20 0.31
AKR1C1 Q04828 1/20 0.30

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
SCHEMBL20293953 0.83 FFAR3 (0.32) FFAR3
SCHEMBL893183 0.77 FFAR3 (0.44) FFAR3GRM1AKR1C1
SCHEMBL27192763 0.69
SCHEMBL17893428 0.69 FFAR3 (0.38) FFAR3GRM1AKR1C1
SCHEMBL9506878 0.69 CYP2C19 (0.40) FFAR3GRM1AKR1C1
SCHEMBL26107112 0.69 HSD11B1 (0.40)
SCHEMBL12658622 0.67 FFAR3 (0.33) FFAR3
SCHEMBL20294165 0.67 FFAR3 (0.36) FFAR3GRM1
SCHEMBL8180378 0.67 NSD2 (0.38) FFAR3GRM1
SCHEMBL2826212 0.67 FFAR3 (0.36) FFAR3GRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010011824-A1 NOVEL XANTHINE COMPOUNDS CONCERT PHARMACEUTICALS, INC. (US) 2010-01-28 WO claimed
WO-2023072924-A1 CCR6 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2023-05-04 WO disclosed
WO-2010011824-A1 NOVEL XANTHINE COMPOUNDS CONCERT PHARMACEUTICALS, INC. (US) 2010-01-28 WO disclosed