SCHEMBL28807663

SCHEMBL28807663

CCC1(COC(OCC2(CC)COC2)c2ccc(-c3ccccc3)cc2)COC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.40
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.35
SOAT1 P35610 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTR1A P08908 1/20 0.32
PTGS2 P35354 2/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
EPHX1 P07099 1/20 0.32
POLB P06746 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FAAH O00519 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL5185515 0.91 CTSK (0.42) CTSKMEN1KMT2ATSHRSOAT1
SCHEMBL2035091 0.75 IDO1 (0.41) CTSKMEN1KMT2ATSHRSOAT1
SCHEMBL16535499 0.75 CTSK (0.37) CTSKMEN1KMT2ATSHRPOLB
SCHEMBL8415288 0.75 MEN1 (0.38) CTSKMEN1KMT2ATSHRPOLB
SCHEMBL8413491 0.74 CTSK (0.40) CTSKMEN1KMT2ATSHRALDH1A1
SCHEMBL8415886 0.74 TSHR (0.35) CTSKMEN1KMT2ATSHRPOLB
SCHEMBL28847277 0.74 BCHE (0.35) CTSKTSHRPTGS2BCHEACHE
SCHEMBL8008053 0.73 CTSK (0.38) CTSKMEN1KMT2ATSHRPOLB
SCHEMBL214522 0.72 CTSK (0.38) CTSKMEN1KMT2ATSHRSOAT1
SCHEMBL22311218 0.72 PTGS2 (0.46) CHRNB2CHRNA4ALDH1A1PTGS2BCHE

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-114901433-A Polymer bonded abrasive article comprising a continuous polymer matrix and method of making the same 3M创新有限公司 2022-08-12 CN disclosed