SCHEMBL23768846

SCHEMBL23768846

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

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.33
RNPEP Q9H4A4 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
TP53 P04637 1/20 0.32
MMP8 P22894 1/20 0.32
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL21360661 0.85 RNPEP (0.30) SLC7A5RNPEP
SCHEMBL13940318 0.79 SLC7A5 (0.33) SLC7A5RNPEPTP53SLC1A3SLC1A2
SCHEMBL14233251 0.77 SLC7A5 (0.32) SLC7A5TP53SLC1A3SLC1A2SLC1A1
SCHEMBL19991449 0.77 HMGCR (0.42) CYP2D6CYP2C19
SCHEMBL14142963 0.76 ADRA1A (0.34) SLC7A5TP53
SCHEMBL17376871 0.76 GRM2 (0.33) SLC7A5RNPEPMMP1MMP2MMP3
SCHEMBL5514917 0.75 TP53 (0.42) SLC7A5RNPEPTP53SLC1A3SLC1A2
SCHEMBL13542998 0.75 TP53 (0.42) SLC7A5RNPEPTP53SLC1A3SLC1A2
SCHEMBL12655759 0.73 ALDH1A1 (0.48) SLC7A5RNPEPGRM2GRM3SLC1A3
SCHEMBL482698 0.73 TP53 (0.38) SLC7A5RNPEPTP53MMP8GRM2

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
WO-2021161964-A1 CONDUCTIVE ADHESIVE COMPOSITION, AND METHOD FOR PRODUCING IMAGING MODULE 昭和電工マテリアルズ株式会社 2021-08-19 WO disclosed