SCHEMBL21696865

SCHEMBL21696865

O=CC1C[C@@H](N=O)CN1C(=O)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.45
▸ GAA P10253 1/20 0.42
▸ HSD11B1 P28845 10/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ HSD11B2 P80365 3/20 0.37
▸ CHRNB2 P17787 2/20 0.37
▸ CHRNA3 P32297 2/20 0.37
▸ CHRNA4 P43681 2/20 0.37
▸ CHRNB3 Q05901 2/20 0.37
▸ CHRNA6 Q15825 2/20 0.37
▸ RECQL P46063 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MAPT P10636 1/20 0.33

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
SCHEMBL21696767 0.71 ALDH1A1 (0.48) TSHRGAAHSD11B1ALDH1A1HSD11B2
SCHEMBL14327371 0.66 ALDH1A1 (0.67) TSHRHSD11B1ALDH1A1HSD11B2CHRNB2
SCHEMBL9667146 0.64 TSHR (0.96) TSHRGAAHSD11B1ALDH1A1HSD11B2
SCHEMBL17048669 0.62 HSD11B1 (0.34) TSHRHSD11B1
SCHEMBL9667551 0.62 GAA (0.95) TSHRGAAHSD11B1ALDH1A1HSD11B2
SCHEMBL27879619 0.61 TSHR (0.44) TSHRGAAHSD11B1ALDH1A1HSD11B2
SCHEMBL21945481 0.61 TSHR (0.54) TSHRGAAHSD11B1ALDH1A1HSD11B2
SCHEMBL14327358 0.61 ALDH1A1 (0.44) TSHRGAAHSD11B1ALDH1A1HSD11B2
SCHEMBL28307419 0.60 GAA (0.51) TSHRGAAHSD11B1ALDH1A1CHRNB2
SCHEMBL30060822 0.59 ALDH1A1 (0.55) TSHRHSD11B1ALDH1A1HSD11B2CHRNB2

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-3608317-A1 COMPOUNDS & METHODS FOR THE ENHANCED DEGRADATION OF TARGETED PROTEINS & OTHER POLYPEPTIDES BY AN E3 UBIQUITIN LIGASE Yale University (US) 2020-02-12 — — EP disclosed
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