SCHEMBL4451308

SCHEMBL4451308

Cc1ccc(-c2ccc3c(c2-c2ccc(C)cc2C(C)(C)C)-c2c(-c4ccc(C)cc4C(C)(C)C)c(-c4ccc(C)cc4C(C)(C)C)c(P(O)O)c(P(O)O)c2-3)c(C(C)(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CA2 P00918 1/20 0.33
POLB P06746 1/20 0.33
TYR P14679 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL919405 0.86 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4459579 0.82
SCHEMBL4459255 0.77 SMN1; SMN2 (0.36) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL9301086 0.76 ALDH1A1 (0.36) ALDH1A1
SCHEMBL9417600 0.74
SCHEMBL2958450 0.73 CA2 (0.33) CA2
SCHEMBL6166149 0.72 MRGPRX4 (0.33) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL5174545 0.71 ELANE (0.44) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL2937285 0.70 ALDH1A1 (0.31) ALDH1A1
SCHEMBL12803214 0.69 ALDH1A1 (0.44) ALDH1A1

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
US-20090069171-A1 Catalysts for olefin polymerization, process for production of the catalysts, and method for preservation thereof JAPAN POLYPROPYLENE CORPORATION (JP) 2009-03-12 US disclosed