SCHEMBL4697046

SCHEMBL4697046

CC(OC(=O)c1ccccc1)OC(=O)C(N)C1(C(=O)O)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
NPC1 O15118 3/20 0.36
HTT P42858 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
POLB P06746 1/20 0.36
SLC6A2 P23975 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
SCHEMBL4699725 0.88 LMNA (0.39) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL4700964 0.84 LMNA (0.39) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL4699470 0.82 LMNA (0.38) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL25013 0.82 LMNA (0.41) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL2146900 0.81
SCHEMBL4697575 0.80 TSHR (0.31) TSHR
SCHEMBL4697175 0.80 ALDH1A1 (0.41) LMNACYP1A2CYP2D6TSHRSMN1; SMN2
SCHEMBL4698401 0.76 PPARA (0.31)
SCHEMBL4696948 0.74 LMNA (0.32) LMNASMN1; SMN2ALDH1A1
SCHEMBL4700325 0.74 PPARA (0.30)

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 claimed
WO-2007002013-A2 ACYLOXYALKYL CARBAMATE PRODRUGS OF TRANEXAMIC ACID, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2007-01-04 WO claimed