SCHEMBL9329183

SCHEMBL9329183

C=C(C)COCCN1C(C)(C)CC(OC(=O)C(=C)C)CC1(C)C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.31
ESR1 P03372 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 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
SCHEMBL8849326 0.85 THRB (0.38) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL3474638 0.82 TSHR (0.35) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL17342020 0.82 TSHR (0.35) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL252308 0.80 TSHR (0.37) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL251451 0.79 TSHR (0.37) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL3474839 0.77 TSHR (0.42) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL3474915 0.77 TSHR (0.42) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL26163344 0.77 TSHR (0.34) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL8854706 0.77 TSHR (0.39) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL67638 0.77 TSHR (0.39) TSHRKMT2AALDH1A1ESR1HSD17B10

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-0344114-B1 Unsaturated derivatives of 2,2,6,6-tetramethyl piperidine CIBA GEIGY AG (CH) 1994-04-06 EP claimed
EP-0344114-A1 Unsaturated derivatives of 2,2,6,6-tetramethyl piperidine CIBA-GEIGY AG (CH) 1989-11-29 EP claimed