SCHEMBL10728403

SCHEMBL10728403

C=CC(C)(C)C(CCCCCCCCCC(=O)OO)(C(=O)OO)C(C)(C)C=C

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.35

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
SCHEMBL10723547 1.00 ALDH1A1 (0.37) ALDH1A1LMNATSHR
SCHEMBL10353509 1.00 ALDH1A1 (0.37) ALDH1A1LMNATSHR
SCHEMBL10725123 1.00 ALDH1A1 (0.37) ALDH1A1LMNATSHR
SCHEMBL10722791 0.94 ALDH1A1 (0.32) ALDH1A1LMNATSHR
SCHEMBL10728320 0.87
SCHEMBL10946598 0.83 DGKA (0.32) ALDH1A1LMNATSHR
SCHEMBL124024 0.83 DGKA (0.32) ALDH1A1LMNATSHR
SCHEMBL1960546 0.79 DGKA (0.33) LMNA
SCHEMBL9850370 0.79 DGKA (0.33) LMNA
SCHEMBL2080192 0.76 TSHR (0.32) TSHR

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-4705888-A POLYMERIZATION CATALYSTS AKZO NV (NL) 1987-11-10 US disclosed