SCHEMBL29088683

SCHEMBL29088683

CCC(C)(C)C(=CC1CCCCC1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.41
GRIK2 Q13002 1/20 0.38
CCR2 P41597 1/20 0.33
FKBP1A P62942 5/20 0.33
HMGCR P04035 1/20 0.33
RIPK1 Q13546 1/20 0.32
POLB P06746 1/20 0.31
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL15228 0.82 GRIK1 (0.41) GRIK1GRIK2
SCHEMBL694029 0.82 GRIK1 (0.41) GRIK1GRIK2
SCHEMBL10592905 0.82 GRIK1 (0.41) GRIK1GRIK2
SCHEMBL6413151 0.77 GRIK1 (0.38) GRIK1GRIK2
SCHEMBL10363597 0.73 GRIK1 (0.49) GRIK1GRIK2POLBSMN1; SMN2HSD17B10
SCHEMBL1263148 0.73 GRIK1 (0.40) GRIK1GRIK2
SCHEMBL1533116 0.73 GRIK1 (0.40) GRIK1GRIK2
SCHEMBL3624694 0.71 RIPK1 (0.34) RIPK1
SCHEMBL3624695 0.71 RIPK1 (0.34) RIPK1
SCHEMBL29255679 0.71 RIPK1 (0.33) RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114214854-B Color fixing agent and preparation method and application method thereof 杭州传化精细化工有限公司 2023-10-13 CN disclosed
CN-114214854-A Color fixing agent and preparation method and application method thereof 杭州传化精细化工有限公司 2022-03-22 CN disclosed