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SCHEMBL28965129

SCHEMBL28965129

Cc1cc(C(C)(C)C)c(CCCCCCCCCCCCOP(O)OP(O)O)c(C(C)(C)C)c1.OCC(CO)(CO)CO

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ TYR P14679 1/20 0.32
▸ HSPA5 P11021 1/20 0.31
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ HIF1A Q16665 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
SCHEMBL28958878 1.00 SMN1; SMN2 (0.32) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL28958816 0.83 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL997155 0.78 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL995779 0.78 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL30987838 0.75 SMN1; SMN2 (0.32) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL30987836 0.75 SMN1; SMN2 (0.32) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL28958825 0.74 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL29000697 0.74 CYP3A4 (0.31) —
SCHEMBL23706347 0.72 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL29000718 0.72 CYP3A4 (0.30) —

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-110964316-B Polyamide composition, molded article, and semi-aromatic polyamide 旭化成株式会社 2023-02-17 — — CN disclosed