SCHEMBL8401328

SCHEMBL8401328

CC(C(=O)O)c1cc(C(C)(C)C)c(O)c(C2(C)CCCCC2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.36
GLRB P48167 1/20 0.36
GLA P06280 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
RARB P10826 3/20 0.35
RARG P13631 3/20 0.35
RARA P10276 2/20 0.34
PTGDR Q13258 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CACNA1A O00555 1/20 0.32
CACNA2D1 P54289 1/20 0.32
CACNB1 Q02641 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL8400789 0.84 RARB (0.35) TSHRRARBRARGRARAPTGDR
SCHEMBL8397549 0.84 TSHR (0.38) GLATSHRALOX12RARBRARG
SCHEMBL8399071 0.83 GLA (0.40) GLATSHRALOX12RARBRARG
SCHEMBL7933969 0.82 GLA (0.37) GLRA3GLRBGLATSHRALOX12
SCHEMBL8400760 0.81 TSHR (0.44) GLATSHRALOX12RARBRARG
SCHEMBL100584 0.79 GLRA3 (0.50) GLRA3GLRBCYP1A2CYP2D6MEN1
SCHEMBL6275312 0.79 GLRA3 (0.50) GLRA3GLRBCYP1A2CYP2D6MEN1
SCHEMBL7796578 0.79 RARG (0.47) GLRA3GLRBGLATSHRALOX12
SCHEMBL8519627 0.78 TSHR (0.39) GLATSHRALOX12CYP1A2CYP2D6
Methane SCHEMBL4556718 0.77 GLRA3 (0.48) GLRA3GLRBCYP1A2CYP2D6MEN1

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
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed