SCHEMBL8856882

SCHEMBL8856882

C=COC=C(CC(C)C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 6/20 0.36
TSHR P16473 1/20 0.34
GRIK2 Q13002 3/20 0.34
GRIA2 P42262 2/20 0.34
GRIA4 P48058 2/20 0.34
GRIK3 Q13003 2/20 0.34
GRIK5 Q16478 2/20 0.34
GRIA1 P42261 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
KISS1R Q969F8 2/20 0.32
CA2 P00918 1/20 0.31

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
SCHEMBL4562013 0.74
SCHEMBL3620136 0.72 GRIK1 (0.58) GRIK1GRIK2GRIA2GRIA4GRIK3
SCHEMBL10450348 0.72 GRIK1 (0.58) GRIK1GRIK2GRIA2GRIA4GRIK3
SCHEMBL8377796 0.72 GRIK1 (0.58) GRIK1GRIK2GRIA2GRIA4GRIK3
SCHEMBL7675713 0.71 GRIK1 (0.44) GRIK1GRIK2GRIA2GRIA4GRIK3
SCHEMBL669945 0.70 GRIK1 (0.42) GRIK1GRIK2GRIA2GRIA4GRIK3
SCHEMBL25070629 0.69
SCHEMBL16527300 0.69 GRIK1 (0.43) GRIK1TSHRGRIK2GRIA2GRIA4
SCHEMBL9419756 0.69 GRIK1 (0.41) GRIK1GRIK2GRIA2GRIA4GRIK3
SCHEMBL9419755 0.69 GRIK1 (0.41) GRIK1GRIK2GRIA2GRIA4GRIK3

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-5683852-A Light-sensitive material for producing a multi-color image AGFA-GEVAERT AG (DE) 1997-11-04 US disclosed