SCHEMBL22720587

SCHEMBL22720587

Cc1cc(C(C)(C)CC(C)(C)C)c(OP(O)Oc2c(C(C)(C)CC(C)(C)C)cc(C)cc2C(C)(C)CC(C)(C)C)c(C(C)(C)CC(C)(C)C)c1.OCC(CO)(CO)CO

nearest known ligand 0.30

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
SCHEMBL3671836 0.84 SMN1; SMN2 (0.41) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL29000711 0.81
SCHEMBL28958829 0.79 CYP3A4 (0.33) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL28958825 0.78 SMN1; SMN2 (0.38) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL3995929 0.73 SMN1; SMN2 (0.37) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL4373000 0.73 SMN1; SMN2 (0.50) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL29000814 0.73 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL9356047 0.71 HSPA5 (0.40) SMN1; SMN2
SCHEMBL996121 0.69 CYP3A4 (0.31) SMN1; SMN2
SCHEMBL29445833 0.69

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-2020238440-A1 SEMI-AROMATIC POLYAMIDE, METHOD FOR SYNTHESIS THEREOF, AND POLYAMIDE MOLDING COMPOSITION CONSISTING THEREOF 金发科技股份有限公司 2020-12-03 WO disclosed