SCHEMBL8765138

SCHEMBL8765138

C=CCOC(=O)C(=CC(=O)O)CCCSCC

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
PTGS1 P23219 1/20 0.30

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
SCHEMBL7795238 0.76 TSHR (0.35) TSHR
SCHEMBL8520112 0.75 TSHR (0.33) TSHR
SCHEMBL1414788 0.74 TSHR (0.33) TSHR
SCHEMBL850326 0.74 TSHR (0.33) TSHR
SCHEMBL3902728 0.73 CYP3A4 (0.35) TSHR
SCHEMBL23171589 0.72 TSHR (0.49) TSHR
SCHEMBL11333210 0.71 TSHR (0.59) TSHR
SCHEMBL11333154 0.71 TSHR (0.59) TSHR
SCHEMBL4795564 0.68 FAAH (0.44) TSHR
SCHEMBL23797511 0.68 MAPT (0.39) 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
EP-0505972-B1 Process for producing styrenic copolymer IDEMITSU KOSAN CO (JP) 1997-06-11 EP disclosed
EP-0505972-A2 Process for producing styrenic copolymer IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-09-30 EP disclosed