SCHEMBL9718974

SCHEMBL9718974

CN1C(C)(C)CC(OC(=O)/C=C\C(=O)O)CC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.38
ATM Q13315 1/20 0.37
TSHR P16473 3/20 0.35
KMT2A Q03164 1/20 0.35
THRB P10828 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP2D6 P10635 1/20 0.32
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
HRH1 P35367 1/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ESR1 P03372 1/20 0.31
HSD17B10 Q99714 1/20 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
SCHEMBL9718978 1.00 HCAR2 (0.38) HCAR2ATMTSHRKMT2ATHRB
SCHEMBL8790610 0.93 TSHR (0.35) HCAR2TSHRKMT2ANFKB1CYP2C19
SCHEMBL8790619 0.93 TSHR (0.35) HCAR2TSHRKMT2ANFKB1CYP2C19
SCHEMBL10707940 0.93 TSHR (0.35) HCAR2TSHRKMT2ANFKB1CYP2C19
SCHEMBL5422213 0.85 TSHR (0.33) TSHRKMT2AGAAHTTALDH1A1
SCHEMBL5422202 0.85 TSHR (0.33) TSHRKMT2AGAAHTTALDH1A1
SCHEMBL13588319 0.84 GAA (0.43) ATMTSHRKMT2AGAAHTT
SCHEMBL21911139 0.81 TSHR (0.31) TSHRKMT2AGAAHTT
SCHEMBL69507 0.79 TSHR (0.33) TSHRKMT2ANFKB1CYP2C19CYP2D6
SCHEMBL18534067 0.79 TSHR (0.33) TSHRKMT2ANFKB1CYP2C19CYP2D6

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-5135986-A Graft polymers of styrene or A-methylstyrene and a comonomer on a core of elastomer modified by a steric hindered unsaturated 2,2,6,6-tetramethylpiperidine compoune; photostability CIBA-GEIGY CORPORATION (US) 1992-08-04 US disclosed