SCHEMBL3138263

SCHEMBL3138263

CC(C(=O)O)C(C)(O)C(=O)OC(=O)C(C)(O)C(C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.30
PTGS1 P23219 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
SCHEMBL23203394 0.78 TP53 (0.35) TP53
SCHEMBL104478 0.77 TSHR (0.45) ALDH1A1TP53TSHRMAPTPTGS1
SCHEMBL15908131 0.77 TSHR (0.45) ALDH1A1TP53TSHRMAPTPTGS1
SCHEMBL285426 0.77 TSHR (0.45) ALDH1A1TP53TSHRMAPTPTGS1
SCHEMBL1924478 0.77 TSHR (0.45) ALDH1A1TP53TSHRMAPTPTGS1
SCHEMBL18832123 0.77 TSHR (0.45) ALDH1A1TP53TSHRMAPTPTGS1
SCHEMBL12033977 0.71
SCHEMBL27886273 0.71
SCHEMBL2954030 0.71
SCHEMBL13176928 0.71

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100003701-A1 COVALENT MODIFICATION AND CONJUGATION OF LUCIFERASE CARDIOGENICS INC. (CA) 2010-01-07 US disclosed
US-20070254311-A1 Covalent modification and conjugation of luciferase CARDIOGENICS INC. (CA) 2007-11-01 US disclosed
US-4082768-A NEW IMIDES OF UNSATURATED DICARBOXYLIC ACIDS, PROCESSES FOR THEIR MANUFACTURE, AND THEIR USE CIBA-GEIGY CORPORATION (US) 1978-04-04 US disclosed