SCHEMBL28679838

SCHEMBL28679838

Cc1ccc(S(=O)(=O)OC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 3/20 0.41
▸ ENPP3 O14638 2/20 0.40
▸ ENPP1 P22413 2/20 0.40
▸ ENPP2 Q13822 2/20 0.40
▸ POLB P06746 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ LMNA P02545 1/20 0.37
▸ AKR1C3 P42330 1/20 0.37
▸ CYP2D6 P10635 2/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35

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
SCHEMBL5506318 0.79 CTSC (0.42) CTSCPOLBALDH1A1LMNAAKR1C3
SCHEMBL28679839 0.79 CTSC (0.42) CTSCPOLBALDH1A1LMNAAKR1C3
SCHEMBL6250751 0.77 TSHR (0.43) CTSCPOLBALDH1A1LMNAAKR1C3
SCHEMBL3930177 0.77 TSHR (0.47) CTSCPOLBALDH1A1LMNATSHR
SCHEMBL1415100 0.77 TSHR (0.47) CTSCPOLBALDH1A1LMNATSHR
SCHEMBL3060996 0.76 ENPP3 (0.41) ENPP3ENPP1ENPP2POLBALDH1A1
SCHEMBL3803839 0.76 ENPP3 (0.41) ENPP3ENPP1ENPP2POLBALDH1A1
SCHEMBL27732963 0.74 ENPP3 (0.55) ENPP3ENPP1ENPP2POLBALDH1A1
SCHEMBL5166329 0.74 CTSC (0.39) CTSCPOLBALDH1A1LMNAAKR1C3
SCHEMBL5591313 0.74 CYP3A4 (0.34) CTSCENPP3ENPP1ENPP2ALDH1A1

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
CN-113980096-A Process for synthesizing ton-grade perindopril tert-butylamine 绍兴市上虞区武汉理工大学高等研究院 2022-01-28 — — CN disclosed
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