SCHEMBL4696406

SCHEMBL4696406

CC(C)C(=O)O[C@@H](OC(=O)NCC1CCC(C(=O)O)CC1)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 2/20 0.37
POLB P06746 3/20 0.37
PLG P00747 1/20 0.36
PLAT P00750 1/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP2C9 P11712 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
HPGD P15428 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL914978 1.00 KMT2A (0.49) KMT2ASMN1; SMN2MEN1POLBPLG
SCHEMBL914977 1.00 KMT2A (0.49) KMT2ASMN1; SMN2MEN1POLBPLG
SCHEMBL915926 0.89 KMT2A (0.49) KMT2ASMN1; SMN2MEN1POLBPLG
SCHEMBL916331 0.89 KMT2A (0.49) KMT2ASMN1; SMN2MEN1POLBPLG
SCHEMBL915221 0.89 KMT2A (0.49) KMT2ASMN1; SMN2MEN1POLBPLG
SCHEMBL916333 0.89 KMT2A (0.49) KMT2ASMN1; SMN2MEN1POLBPLG
SCHEMBL915961 0.88 KMT2A (0.48) KMT2ASMN1; SMN2MEN1POLBPLG
SCHEMBL915962 0.88 KMT2A (0.48) KMT2ASMN1; SMN2MEN1POLBPLG
SCHEMBL915874 0.88 KMT2A (0.50) KMT2ASMN1; SMN2MEN1POLBPLG
SCHEMBL915989 0.88 KMT2A (0.50) KMT2ASMN1; SMN2MEN1POLBPLG

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-1919859-A2 ACYLOXYALKYL CARBAMATE PRODRUGS OF TRANEXAMIC ACID, METHODS OF SYNTHESIS AND USE Xenoport, Inc. (US) 2008-05-14 EP disclosed
WO-2007002013-A2 ACYLOXYALKYL CARBAMATE PRODRUGS OF TRANEXAMIC ACID, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2007-01-04 WO disclosed