SCHEMBL14601495

SCHEMBL14601495

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
CYP2C9 P11712 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
SCHEMBL8024204 0.80 MEN1 (0.39) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL8420441 0.80 KMT2A (0.45) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL2336327 0.80 KMT2A (0.45) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL14601502 0.76 MEN1 (0.34) MEN1KMT2ATSHRTAS1R3TAS1R1
SCHEMBL2361611 0.74 GRIK1 (0.34) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL12282379 0.71 MEN1 (0.40) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL2071539 0.71 CA1 (0.38) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL2361609 0.70 GRIK1 (0.34) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL3068583 0.70
SCHEMBL8469724 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070015260-A1 Synthesis of synthons for the manufacture of bioactive compounds DIVERSA CORPORATION 2007-01-18 US disclosed
US-20070015260-A1 Synthesis of synthons for the manufacture of bioactive compounds DIVERSA CORPORATION 2007-01-18 US disclosed