SCHEMBL9586384

SCHEMBL9586384

C=C(C)C(=O)OC(CCCCCCCCCCC)N=C=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
MAPT P10636 1/20 0.37
FAAH O00519 5/20 0.36
GPR84 Q9NQS5 5/20 0.34
FFAR1 O14842 1/20 0.34
ZDHHC7 Q9NXF8 1/20 0.34
LCK P06239 1/20 0.33
PPARD Q03181 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
LMNA P02545 1/20 0.33
LAP3 P28838 1/20 0.33

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
SCHEMBL5349827 1.00 TSHR (0.45) TSHRMAPTFAAHGPR84FFAR1
SCHEMBL5355947 1.00 TSHR (0.45) TSHRMAPTFAAHGPR84FFAR1
SCHEMBL9586598 1.00 TSHR (0.45) TSHRMAPTFAAHGPR84FFAR1
SCHEMBL5362557 1.00 TSHR (0.45) TSHRMAPTFAAHGPR84FFAR1
SCHEMBL5360012 0.98 TSHR (0.42) TSHRMAPTFAAHGPR84FFAR1
SCHEMBL5360818 0.94 TSHR (0.40) TSHR
SCHEMBL4612822 0.88 ALDH1A1 (0.36) TSHR
SCHEMBL27842087 0.86 NOS2 (0.31) TSHR
SCHEMBL5161744 0.82 TSHR (0.31) TSHR
SCHEMBL1850276 0.81 TSHR (0.34) TSHR

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
US-5213934-A Core of colorant and binder grafted to polymeric shell XEROX CORPORATION (US) 1993-05-25 US claimed
US-5213934-A Core of colorant and binder grafted to polymeric shell XEROX CORPORATION (US) 1993-05-25 US disclosed