SCHEMBL5324557

SCHEMBL5324557

CC(OC(=O)Cc1ccccc1)OC(=O)NC(=N)N(C)C(C(=O)O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
KLK7 P49862 7/20 0.38
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
ALDH1A1 P00352 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 2/20 0.33
NPY5R Q15761 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL5331609 0.81 TSHR (0.43) TSHRL3MBTL1LMNANPY5RKMT2A
SCHEMBL5331537 0.80 TSHR (0.46) TSHRKLK7ALDH1A1L3MBTL1MAPK1
SCHEMBL5329549 0.78 TDP1 (0.39) KMT2A
SCHEMBL5331113 0.78 TSHR (0.43) TSHRKLK7POLBSMN1; SMN2
SCHEMBL5324604 0.76 TSHR (0.46) TSHRKLK7ALDH1A1L3MBTL1MAPK1
SCHEMBL5331601 0.72 FAAH (0.39) LMNASMN1; SMN2
SCHEMBL5331540 0.71 ADRB2 (0.42) TSHRALDH1A1L3MBTL1MAPK1ADRB2
SCHEMBL5330077 0.71 FOLH1 (0.40) TSHRKLK7
SCHEMBL18848232 0.70 TSHR (0.56) TSHRKLK7ALDH1A1L3MBTL1MAPK1
SCHEMBL18848357 0.70 TSHR (0.56) TSHRKLK7ALDH1A1L3MBTL1MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007146086-A1 CREATINE PRODRUGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2007-12-21 WO disclosed