SCHEMBL1114389

SCHEMBL1114389

CON(c1ccccc1)[C@](C)(OC)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 2/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CES1 P23141 1/20 0.36
TSHR P16473 2/20 0.35
KCNN4 O15554 1/20 0.35
GLA P06280 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ATM Q13315 1/20 0.34

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
SCHEMBL4894696 0.77 KCNN4 (0.42) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL4893317 0.77 KCNN4 (0.42) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL9507537 0.77 MEN1 (0.39) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL8551902 0.75 MEN1 (0.33) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL12562393 0.74 KCNN4 (0.36) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL3963073 0.72 SMN1; SMN2 (0.41) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL9508170 0.71 KCNN4 (0.43) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL2579950 0.71 KMT2A (0.37) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL29589335 0.70 KMT2A (0.37) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL7787086 0.69 KMT2A (0.35) KMT2AMEN1CYP3A4CYP2C9CYP2C19

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
EP-2279200-A1 BIOLOGICALLY ACTIVE PEPTIDES Baxter International Inc. (US) 2011-02-02 EP disclosed
WO-2009137256-A1 BIOLOGICALLY ACTIVE PEPTIDES BAXTER INTERNATIONAL INC. (US) 2009-11-12 WO disclosed