SCHEMBL2451297

SCHEMBL2451297

CCc1cccc2c1C(OC(=O)C(C)CC)c1ccccc1O2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 2/20 0.40
CHRM2 P08172 2/20 0.40
CYP2D6 P10635 2/20 0.40
CHRM1 P11229 2/20 0.40
KCNH2 Q12809 2/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
NFKB1 P19838 1/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
PMP22 Q01453 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL7181697 0.91 HTT (0.45) L3MBTL1HTTCYP1A2CHRM2CYP2D6
SCHEMBL7190904 0.83 HTT (0.46) L3MBTL1HTTCYP1A2CHRM2CYP2D6
SCHEMBL12216155 0.81 L3MBTL1 (0.45) L3MBTL1CYP1A2CHRM2CYP2D6CHRM1
SCHEMBL8205275 0.80 HTT (0.46) L3MBTL1HTTTSHRKMT2AMEN1
SCHEMBL7561924 0.76 TSHR (0.47) L3MBTL1CYP1A2CHRM2CYP2D6CHRM1
SCHEMBL2740693 0.72 POLB (0.45) L3MBTL1CYP1A2CYP2D6TSHRCYP3A4
SCHEMBL263789 0.71 HTT (0.43) L3MBTL1HTTCYP1A2CHRM2CYP2D6
SCHEMBL18543718 0.71 HTT (0.44) L3MBTL1HTTTSHRKMT2AMEN1
SCHEMBL12216156 0.71 L3MBTL1 (0.42) L3MBTL1CYP1A2CHRM2CYP2D6CHRM1
SCHEMBL28256758 0.70 HTT (0.45) L3MBTL1HTTTSHRKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376523-B2 Poly(vinyl alcohol)-poly(vinyl ester) block copolymers WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2016-06-28 US disclosed
US-20150307645-A1 POLY(VINYL ALCOHOL)-POLY(VINYL ESTER) BLOCK COPOLYMERS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-10-29 US disclosed
WO-2011115641-A1 POLY(VINYL ALCOHOL) -POLY(VINYL ESTER) BLOCK COPOLYMERS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-09-22 WO disclosed