SCHEMBL28100256

SCHEMBL28100256

CCC(=O)c1ccccc1OC(C)(OC)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ABCB1 P08183 6/20 0.44
NPC1 O15118 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ELANE P08246 1/20 0.39
CTSD P07339 1/20 0.39
HMGCR P04035 1/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
CTNNB1 P35222 1/20 0.38

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
SCHEMBL13020272 0.85 TSHR (0.47) KMT2AMEN1USP2TSHRHSD17B10
SCHEMBL28834545 0.84 ABCB1 (0.42) KMT2AMEN1USP2TSHRHSD17B10
SCHEMBL28834541 0.83 HDAC8 (0.51) KMT2AMEN1TSHRKDM4EALDH1A1
SCHEMBL28100187 0.83 HDAC8 (0.51) KMT2AMEN1TSHRKDM4EALDH1A1
SCHEMBL28100114 0.83 KMT2A (0.43) KMT2AMEN1USP2TSHRHSD17B10
SCHEMBL28100174 0.81 LMNA (0.49) KMT2ATSHRHSD17B10ABCB1KDM4E
SCHEMBL13780116 0.80 F2R (0.50) KMT2AMEN1USP2TSHRHSD17B10
SCHEMBL29738645 0.79 NPC1 (0.64) KMT2ANPC1ALDH1A1RAB9AHTT
SCHEMBL878658 0.79 NPC1 (0.64) KMT2ANPC1ALDH1A1RAB9AHTT
SCHEMBL28812389 0.77 ABCB1 (0.55) KMT2AMEN1USP2TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106010384-A OPTICAL FILM WITH ADHESIVE LAYER AND LIQUID CRYSTAL DISPLAY DEVICE 住友化学株式会社 2016-10-12 CN disclosed
CN-106010382-A Optical laminate and liquid crystal display device 住友化学株式会社 2016-10-12 CN disclosed