SCHEMBL28958832

SCHEMBL28958832

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

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
CA2 P00918 1/20 0.30
POLB P06746 1/20 0.30
TYR P14679 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL28958830 1.00 ALDH1A1 (0.30) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL11126013 0.80 SMN1; SMN2 (0.33) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL1031490 0.78 SMN1; SMN2 (0.36) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL28958858 0.75 TACR1 (0.33)
SCHEMBL1074820 0.75 SMN1; SMN2 (0.38) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL29000718 0.75 CYP3A4 (0.30)
SCHEMBL29000707 0.75 CYP3A4 (0.30)
SCHEMBL28958848 0.75 GAA (0.31)
SCHEMBL28958825 0.72 SMN1; SMN2 (0.38) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL29445830 0.72

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