SCHEMBL28628187

SCHEMBL28628187

CC(C)(C)NC(=O)OC/C=C\CN

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ GABRR1 P24046 2/20 0.30
▸ GABRR2 P28476 2/20 0.30
▸ BLM P54132 2/20 0.30
▸ GABRR3 A8MPY1 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ APEX1 P27695 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL23933244 1.00 TSHR (0.32) TSHRALOX15GABRR1GABRR2BLM
SCHEMBL22288373 1.00 TSHR (0.32) TSHRALOX15GABRR1GABRR2BLM
SCHEMBL28454873 0.83 TSHR (0.33) TSHRALOX15
SCHEMBL22288335 0.83 TSHR (0.33) TSHRALOX15
SCHEMBL25043435 0.81 ALOX15 (0.32) TSHRALOX15
SCHEMBL23613239 0.79 ALOX15 (0.30) TSHRALOX15
SCHEMBL25939837 0.79 ALOX15 (0.30) TSHRALOX15
SCHEMBL14762577 0.76 TSHR (0.35) TSHRALOX15LMNA
SCHEMBL29210062 0.75 TSHR (0.34) TSHRALOX15
SCHEMBL262290 0.75 MEN1 (0.39) TSHRALOX15LMNATDP1

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
CN-113444023-B Synthesis method and application of tert-butoxycarbonyl protected ammonia compound 成都先导药物开发股份有限公司 2023-05-02 — — CN disclosed
CN-113444023-A Synthesis method and application of tert-butoxycarbonyl protected ammonia compound 成都先导药物开发股份有限公司 2021-09-28 — — CN disclosed
Send feedback