SCHEMBL8776516

SCHEMBL8776516

C=C(C)C(=O)OCCC(O)CCCCCCCCC

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.67
FFAR1 O14842 2/20 0.49
FFAR4 Q5NUL3 1/20 0.49
GPR84 Q9NQS5 8/20 0.46
THRB P10828 1/20 0.46
NFKB1 P19838 1/20 0.44
FAAH O00519 2/20 0.41
PSMD14 O00487 1/20 0.41
PLA2G1B P04054 1/20 0.41
MMP2 P08253 1/20 0.41
RAD52 P43351 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41

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
SCHEMBL5690541 1.00 TSHR (0.67) TSHRFFAR1FFAR4GPR84THRB
SCHEMBL3165418 0.98 TSHR (0.64) TSHRFFAR1FFAR4GPR84THRB
SCHEMBL28204135 0.94 TSHR (0.72) TSHRFFAR1FFAR4GPR84THRB
SCHEMBL372784 0.94 TSHR (0.77) TSHRFFAR1FFAR4GPR84THRB
SCHEMBL3717075 0.94 TSHR (0.72) TSHRFFAR1FFAR4GPR84THRB
SCHEMBL9243433 0.93 TSHR (0.61) TSHRFFAR1FFAR4GPR84THRB
SCHEMBL1014196 0.92 TSHR (0.74) TSHRFFAR1FFAR4GPR84THRB
SCHEMBL28204149 0.92 TSHR (0.69) TSHRFFAR1FFAR4GPR84THRB
SCHEMBL28230255 0.90 TSHR (0.72) TSHRFFAR1FFAR4GPR84THRB
SCHEMBL28230256 0.89 TSHR (0.69) TSHRFFAR1FFAR4GPR84THRB

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
EP-0533161-B1 Gasket with sealing layer NIPPON REINZ CO LTD (JP) 1997-12-03 EP disclosed
EP-0533161-A1 Gasket with sealing layer Nippon Reinz Co.,Ltd. (JP) 1993-03-24 EP disclosed
US-4783135-A Optical fiber conductor and image scope using same MITSUBISHI CABLE INDUSTRIES, LTD. (JP) 1988-11-08 US disclosed