SCHEMBL9055569

SCHEMBL9055569

CC(CC1CO1)(CC1CO1)C(C(=O)O)=C(C(=O)O)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 2/20 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
SCHEMBL6519062 0.76 ALDH1A1 (0.38) TSHRMAPK1ALDH1A1
SCHEMBL8823291 0.74
SCHEMBL2996873 0.73 TSHR (0.37) TSHRMAPK1ALDH1A1
SCHEMBL18302657 0.70 ALDH1A1 (0.37) TSHRMAPK1ALDH1A1
SCHEMBL7540204 0.70 ALDH1A1 (0.37) TSHRMAPK1ALDH1A1
SCHEMBL5249504 0.68 TET2 (0.38) TSHRMAPK1ALDH1A1
SCHEMBL29236881 0.68 ALDH1A1 (0.50) TSHRMAPK1ALDH1A1
SCHEMBL22440169 0.68 ALDH1A1 (0.32) TSHRMAPK1ALDH1A1
SCHEMBL28522397 0.68 CYP2D6 (0.32) TSHR
SCHEMBL3193100 0.67 ALDH1A1 (0.34) TSHRMAPK1ALDH1A1

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
EP-0507561-B1 Thermoplastic resin compositions NOF CORP (JP) 1996-06-26 EP claimed