SCHEMBL8944692

SCHEMBL8944692

CN1C(C)(C)CC(OC(=O)NNC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 2/20 0.34
HTT P42858 1/20 0.34
GLA P06280 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ESR1 P03372 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP2D6 P10635 1/20 0.31
LMNA P02545 2/20 0.31
EPHX1 P07099 1/20 0.31
MEN1 O00255 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
SCHEMBL11173076 0.87 CHRM1 (0.37) TSHRKMT2AGAAHTTALDH1A1
SCHEMBL6714702 0.86 TSHR (0.37) TSHRKMT2AGAAHTTALDH1A1
SCHEMBL9153218 0.85 ALDH1A1 (0.35) TSHRKMT2AGAAHTTALDH1A1
Acetic Acid SCHEMBL11170373 0.82 TSHR (0.38) TSHRKMT2AGAAHTTALDH1A1
SCHEMBL5606458 0.82 TSHR (0.37) TSHRKMT2AGAAHTTALDH1A1
SCHEMBL8944723 0.81 TSHR (0.39) TSHRKMT2AGAAHTTGLA
SCHEMBL14049629 0.81 TSHR (0.34) TSHRKMT2AGAAHTTALDH1A1
SCHEMBL537637 0.81 KMT2A (0.35) TSHRKMT2AGAAHTTALDH1A1
SCHEMBL9153087 0.81 GAA (0.39) TSHRKMT2AGAAMEN1
SCHEMBL25387445 0.80 TSHR (0.40) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5470980-A Light stabilizers for polymers that can be grafted to polymers CIBA-GEIGY CORPORATION (US) 1995-11-28 US claimed
US-5578731-A ASYMMETRICAL HYDRAZINE DERIVATIVE CIBA-GEIGY CORPORATION (US) 1996-11-26 US disclosed
US-5554754-A PHOTOSTABILIZERS CIBA-GEIGY CORPORATION (US) 1996-09-10 US disclosed
US-5470980-A Light stabilizers for polymers that can be grafted to polymers CIBA-GEIGY CORPORATION (US) 1995-11-28 US disclosed
EP-0647626-A1 Azadicarboxylic acid derivatives containing hindered amine moieties as polymer stabilisers CIBA-GEIGY AG (CH) 1995-04-12 EP disclosed
US-5380828-A Stabilization by being grafted onto a polymer CIBA-GEIGY CORPORATION (US) 1995-01-10 US disclosed