SCHEMBL2364046

SCHEMBL2364046

CC(=O)NC(=O)N[C@H](C)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TAS1R3 Q7RTX0 3/20 0.43
TAS1R1 Q7RTX1 3/20 0.43
TAS1R2 Q8TE23 3/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 1/20 0.36
HPGD P15428 2/20 0.36
EPHX1 P07099 1/20 0.35
CRBN Q96SW2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
TAS2R38 P59533 1/20 0.31

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
SCHEMBL2363845 1.00 LMNA (0.44) LMNAMEN1KMT2APOLBSMN1; SMN2
SCHEMBL944394 0.80 CYP3A4 (0.45) LMNAMEN1KMT2APOLBSMN1; SMN2
SCHEMBL13036625 0.80 CYP3A4 (0.45) LMNAMEN1KMT2APOLBSMN1; SMN2
SCHEMBL13035837 0.80 CYP3A4 (0.45) LMNAMEN1KMT2APOLBSMN1; SMN2
SCHEMBL13684345 0.76 MEN1 (0.47) LMNAMEN1KMT2APOLBSMN1; SMN2
SCHEMBL25583450 0.76 MEN1 (0.47) LMNAMEN1KMT2APOLBSMN1; SMN2
SCHEMBL13686217 0.76 MEN1 (0.47) LMNAMEN1KMT2APOLBSMN1; SMN2
SCHEMBL23994365 0.75 LMNA (0.46) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL25583025 0.74 MEN1 (0.46) LMNAMEN1KMT2APOLBSMN1; SMN2
SCHEMBL25583448 0.74 MEN1 (0.46) LMNAMEN1KMT2APOLBSMN1; SMN2

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-2528902-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-12-05 EP disclosed
WO-2011092187-A1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2011-08-04 WO disclosed