SCHEMBL8651985

SCHEMBL8651985

O=CC1CC1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
EP300 Q09472 1/20 0.37
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH7 P40394 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36

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
SCHEMBL8219841 0.78 GBA1 (0.54) GBA1DDB1CRBN
SCHEMBL23851449 0.78 TSHR (0.47)
SCHEMBL28184637 0.78
SCHEMBL16289625 0.77 ALDH1A1 (0.40) GBA1
SCHEMBL13752557 0.77 S1PR1 (0.38)
SCHEMBL16289624 0.77 ALDH1A1 (0.40) GBA1
SCHEMBL21051907 0.72 GBA1 (0.46) GBA1
SCHEMBL8651297 0.72 GBA1 (0.37) GBA1
SCHEMBL27473508 0.71 CCR3 (0.53)
SCHEMBL28320965 0.71 HSD11B1 (0.41)

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
US-5817757-A AUTOIMMUNE DISORDERS, OLIGOPEPTIDE DERIVATIVES MERCK & CO., INC. (US) 1998-10-06 US disclosed