SCHEMBL4758614

SCHEMBL4758614

Cc1ccccc1C(=O)OCCCOC(=O)N[C@H](CO)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
TDP1 Q9NUW8 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
CYP3A4 P08684 2/20 0.43
MAPK1 P28482 2/20 0.43
TP53 P04637 2/20 0.43
SCN1A P35498 2/20 0.42
SCN2A Q99250 2/20 0.42
SCN3A Q9NY46 2/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL3106421 0.95 ADRB2 (0.44) TSHRTDP1L3MBTL1ADRB2ADRB1
SCHEMBL4402023 0.95 ADRB2 (0.44) TSHRTDP1L3MBTL1ADRB2ADRB1
SCHEMBL4758611 0.81 SMN1; SMN2 (0.44) TSHRL3MBTL1ADRB2ADRB1ADRB3
SCHEMBL29860709 0.80 TSHR (0.65) TSHRTDP1L3MBTL1ADRB2ADRB1
SCHEMBL3106415 0.79 SMN1; SMN2 (0.41) L3MBTL1ADRB2ADRB1ADRB3SCN1A
SCHEMBL10659458 0.79 KDM4E (0.43) L3MBTL1
SCHEMBL3094213 0.78 TDP1 (0.51) TDP1MAPK1ALDH1A1LMNAKMT2A
SCHEMBL14984028 0.77 TSHR (0.68) TSHRTDP1L3MBTL1ADRB2ADRB1
SCHEMBL10657352 0.76 L3MBTL1 (0.52) L3MBTL1HPGDSMN1; SMN2
SCHEMBL18419393 0.76 L3MBTL1 (0.52) L3MBTL1HPGDSMN1; 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
WO-2008013860-A2 ACYLOXYALKYL CARBAMATE PRODRUGS OF ALPHA-AMINO ACIDS, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2008-01-31 WO claimed
WO-2008013860-A2 ACYLOXYALKYL CARBAMATE PRODRUGS OF ALPHA-AMINO ACIDS, METHODS OF SYNTHESIS AND USE XENOPORT, INC. (US) 2008-01-31 WO disclosed