SCHEMBL2706129

SCHEMBL2706129

C=C(C)C(=O)OCC.CC(=CC=Cc1ccc(O)cc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
LMNA P02545 3/20 0.52
CA12 O43570 3/20 0.45
CA9 Q16790 3/20 0.45
MAPT P10636 3/20 0.45
CA1 P00915 2/20 0.45
CA7 P43166 2/20 0.45
CA14 Q9ULX7 2/20 0.45
CA2 P00918 1/20 0.45
POLB P06746 1/20 0.42
ESR1 P03372 5/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CYP3A4 P08684 1/20 0.41
HSPD1 P10809 1/20 0.41

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
SCHEMBL2706128 0.95 ALDH1A1 (0.52) ALDH1A1KDM4ELMNACA12CA9
SCHEMBL2707013 0.88 CA12 (0.51) ALDH1A1KDM4ELMNACA12CA9
SCHEMBL3700257 0.87 LMNA (0.50) ALDH1A1KDM4ELMNACA12CA9
Acrylic Acid Ethyl Ester SCHEMBL2708956 0.86 CA12 (0.51) ALDH1A1KDM4ELMNACA12CA9
SCHEMBL2706218 0.84 CYP3A4 (0.41) ALDH1A1KDM4ELMNAMAPTPOLB
SCHEMBL2707312 0.82 LMNA (0.50) ALDH1A1KDM4ELMNACA12CA9
Acrylic Acid Ethyl Ester SCHEMBL2707955 0.81 CA12 (0.48) ALDH1A1KDM4ELMNACA12CA9
SCHEMBL482619 0.81 CYP3A4 (0.50) ALDH1A1KDM4ELMNAMAPTESR1
SCHEMBL8166266 0.81 ALDH1A1 (0.54) ALDH1A1KDM4ELMNACA12CA9
SCHEMBL7199350 0.79 ALDH1A1 (0.57) ALDH1A1KDM4ELMNAMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2447291-B1 HIGH-MOLECULAR-WEIGHT COPOLYMER NIPPON SODA CO (JP) 2015-04-08 EP disclosed
US-8729187-B2 High-molecular-weight copolymer NIPPON SODA CO., LTD. (JP) 2014-05-20 US disclosed
US-20120123076-A1 HIGH-MOLECULAR-WEIGHT COPOLYMER NIPPON SODA CO., LTD (JP) 2012-05-17 US disclosed
EP-2447291-A1 HIGH-MOLECULAR-WEIGHT COPOLYMER Nippon Soda Co., Ltd. (JP) 2012-05-02 EP disclosed