SCHEMBL28041527

SCHEMBL28041527

CC=COC(=O)c1ccccc1C(=O)OC=CC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.47
ALDH1A1 P00352 7/20 0.44
CYP3A4 P08684 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 2/20 0.39
CFTR P13569 1/20 0.39
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38
ALOX15 P16050 1/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 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
SCHEMBL27412731 0.92 ALDH1A1 (0.52) TSHRALDH1A1TDP1LMNAHSD17B10
SCHEMBL3366780 0.88 LMNA (0.58) TSHRALDH1A1CYP3A4TDP1L3MBTL1
SCHEMBL28740024 0.88 NPC1 (0.45) TSHRL3MBTL1LMNANPC1
SCHEMBL28740020 0.87 CES2 (0.48) ALDH1A1TDP1L3MBTL1TP53NPC1
SCHEMBL9615190 0.87 LMNA (0.56) TSHRALDH1A1CYP3A4TDP1L3MBTL1
SCHEMBL28740015 0.87 CES2 (0.48) TSHRALDH1A1L3MBTL1LMNANPC1
SCHEMBL2974837 0.85 KDM4E (0.39) TSHRALDH1A1TDP1L3MBTL1LMNA
SCHEMBL5071733 0.82 KDM4E (0.37) TSHRALDH1A1TDP1L3MBTL1LMNA
SCHEMBL5069109 0.81 KDM4E (0.36) TSHRALDH1A1TDP1L3MBTL1LMNA
SCHEMBL27563740 0.81 GSTP1 (0.35) TSHRALDH1A1CYP3A4KDM4EPOLB

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
CN-105008467-A Active energy ray-curable offset printing ink composition SAKATA INX CORP 2015-10-28 CN disclosed