SCHEMBL8995717

SCHEMBL8995717

C=C(C)C(=O)OC(CCCCC)Oc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.42
MMP2 P08253 6/20 0.40
MMP3 P08254 4/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
MAPT P10636 1/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37

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
SCHEMBL14701748 0.85 PPARG (0.38) TSHRALDH1A1HTTL3MBTL1MAPT
SCHEMBL8603370 0.84 MGLL (0.42) MGLLMMP2MMP3TSHRHSD17B10
SCHEMBL8631709 0.84 LTB4R2 (0.37) MGLLTSHRHSD17B10KDM4EALDH1A1
SCHEMBL7794894 0.82 TSHR (0.45) MGLLMMP2MMP3TSHRHSD17B10
SCHEMBL11967011 0.81 L3MBTL1 (0.41) TSHRHPGDHTTL3MBTL1MAPT
SCHEMBL11967008 0.80 GAA (0.42) TSHRHPGDHTTL3MBTL1MAPT
SCHEMBL11967010 0.80 GAA (0.42) TSHRHPGDHTTL3MBTL1MAPT
SCHEMBL28678913 0.80 POLB (0.48) TSHRHTT
SCHEMBL28355152 0.79 THRB (0.45) TSHRALDH1A1
SCHEMBL17274266 0.79 MGLL (0.47) MGLLTSHRHSD17B10KDM4EALDH1A1

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
JP-4226515-A None JP disclosed
US-5589237-A SUBSTRATE WITH RECORDING LAYER CONTAINING SIDE CHAIN LIQUID CRYSTAL COPOLYMER INCLUDING LIQUID CRYSTAL AND NON-LIQUID CRYSTAL MONOMER UNITS CAPABLE OF HYDROGEN BONDING; REPEATEDLY SWITCHABLE BY ACTION OF HEAT, ELECTRICITY, MAGNETISM FUJI XEROX CO., LTD. (JP) 1996-12-31 US disclosed
JP-H04226515-A AMORPHOUS COPOLYMER TRANSPARENT IN VISIBLE RANGE FOR NON-LINEAR OPTICAL APPLICATION THOMSON CSF 1992-08-17 JP disclosed