SCHEMBL28630682

SCHEMBL28630682

CCCCC(OO)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.38
CA1 P00915 4/20 0.38
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.34
DNM1 Q05193 2/20 0.33
FDPS P14324 2/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTSK P43235 2/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 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
SCHEMBL31405411 0.91 LMNA (0.41) CA2DNM1FDPS
SCHEMBL4949160 0.85 TSHR (0.32) TSHR
SCHEMBL9186269 0.84 CA2 (0.36) CA2CA1MAPK1ALDH1A1DNM1
SCHEMBL28378476 0.81
SCHEMBL1982082 0.80 DNM1 (0.36) CA2CA1MAPK1ALDH1A1DNM1
SCHEMBL4451765 0.80 DNM1 (0.36) CA2CA1MAPK1ALDH1A1DNM1
SCHEMBL28057052 0.78 CA2 (0.39) CA2CA1MAPK1ALDH1A1DNM1
SCHEMBL21754690 0.76 CA2 (0.33) CA2CA1MAPK1ALDH1A1DNM1
SCHEMBL19941528 0.76 CA2 (0.35) CA2CA1MAPK1ALDH1A1DNM1
SCHEMBL28997789 0.74 TSHR (0.40) CA2CA1MAPK1ALDH1A1TSHR

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
CN-113226785-A Tire having rubber composition comprising thermoplastic elastomer and rubber powder 米其林集团总公司 2021-08-06 CN disclosed