SCHEMBL9717169

SCHEMBL9717169

CN1C(C)(C)CC(OC([O])=O)CC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 3/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ESR1 P03372 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP2D6 P10635 1/20 0.33
LMNA P02545 1/20 0.32
MEN1 O00255 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
SCHEMBL7756837 0.86 TSHR (0.36) TSHRKMT2AGAAHTTALDH1A1
SCHEMBL5606458 0.85 TSHR (0.37) TSHRKMT2AGAAHTTALDH1A1
SCHEMBL6714702 0.85 TSHR (0.37) TSHRKMT2AGAAHTTALDH1A1
Hydrochloric Acid SCHEMBL9715125 0.84 HTT (0.37) TSHRKMT2AGAAHTTALDH1A1
SCHEMBL25387445 0.83 TSHR (0.40) TSHRKMT2AGAAHTTALDH1A1
SCHEMBL985161 0.83 TSHR (0.50) TSHRKMT2AGAAHTTALDH1A1
SCHEMBL12360753 0.82 TSHR (0.36) TSHRKMT2AGAAHTTALDH1A1
SCHEMBL31328 0.80 CYP2D6 (0.40) TSHRKMT2AGAAHTTALDH1A1
SCHEMBL8944692 0.80 TSHR (0.35) TSHRKMT2AGAAHTTALDH1A1
SCHEMBL21163552 0.80 TSHR (0.38) TSHRKMT2AGAAHTTALDH1A1

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-5162405-A Single-functional and mixtures of multi-functional oligomeric performance additive compositions and their uses ELF ATOCHEM NORTH AMERICA, INC. (US) 1992-11-10 US disclosed
US-5013777-A Benzosulfonic acids as end groups of engineering thermoplastic resins; fireproofing; oxidation and UV resistances; photostabilizers ATOCHEM NORTH AMERICA, INC. (US) 1991-05-07 US disclosed