SCHEMBL2148331

SCHEMBL2148331

CC(=O)[C@](C)(OC(=O)C(O)C(C)(C)O)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL15841314 1.00 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL262225 0.72 GAA (0.46) ALDH1A1TSHR
SCHEMBL27521633 0.68 SMN1; SMN2 (0.40) ALDH1A1TSHR
SCHEMBL27522067 0.68 SMN1; SMN2 (0.40) ALDH1A1TSHR
SCHEMBL27521634 0.68 SMN1; SMN2 (0.40) ALDH1A1TSHR
SCHEMBL15841315 0.67
SCHEMBL12141691 0.65 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL8074526 0.64 ALDH1A1 (0.46) ALDH1A1
SCHEMBL8074523 0.64 ALDH1A1 (0.46) ALDH1A1
SCHEMBL21571368 0.64 TP53 (0.35)

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-2011081658-A2 METHODS AND COMPOSITIONS FOR PRODUCING CHEMICAL PRODUCTS FROM C. PHYTOFERMENTANTS QTEROS, INC. (US) 2011-07-07 WO disclosed