SCHEMBL10403877

SCHEMBL10403877

CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)ON(C1CCCCC1)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.49
▸ CTSK P43235 2/20 0.49
▸ TSHR P16473 2/20 0.46
▸ KLK7 P49862 1/20 0.44
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ CA2 P00918 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ KLK5 Q9Y337 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ ABCG2 Q9UNQ0 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ PLIN1 O60240 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PLIN5 Q00G26 1/20 0.38

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
SCHEMBL11272866 1.00 CTSS (0.49) CTSSCTSKTSHRKLK7HDAC4
SCHEMBL9062172 0.85 CTSK (0.53) CTSSCTSKHDAC4HDAC1HDAC6
SCHEMBL3730662 0.85 EPHX1 (0.46) CTSSCTSKHDAC4HDAC1HDAC6
SCHEMBL11096635 0.84 CTSK (0.46) CTSSCTSKHDAC4HDAC1HDAC6
SCHEMBL9220692 0.84 HDAC4 (0.43) CTSSCTSKHDAC4HDAC1HDAC6
SCHEMBL9099322 0.82 CTSK (0.55) CTSSCTSKHDAC4HDAC1HDAC6
SCHEMBL3709454 0.82 CTSK (0.46) CTSSCTSKHDAC4HDAC1HDAC6
SCHEMBL7296839 0.82 CTSK (0.58) CTSSCTSKHDAC4HDAC1HDAC6
SCHEMBL7565337 0.81 CTSS (0.53) CTSSCTSKTSHRKLK7HDAC4
SCHEMBL17497589 0.81 CTSK (0.42) CTSSCTSKHDAC4HDAC1HDAC6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116874803-A Antibacterial dendritic polyester polymer and preparation method and application thereof 清华大学深圳国际研究生院 2023-10-13 — — CN claimed
CN-116874803-A Antibacterial dendritic polyester polymer and preparation method and application thereof 清华大学深圳国际研究生院 2023-10-13 — — CN disclosed
US-4971993-A HYPOTENSIVE DIPEPTIDES DERIVATIVES AJINOMOTO CO., INC. (JP) 1990-11-20 — — US disclosed
US-RE30752-E CHEMICAL REACTANT FOR PROTECTING AMINO OR IMINO GROUPS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-09-29 — — US disclosed
US-4010178-A Carbonic acid esters, and the preparation thereof and their use FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-03-01 — — US disclosed
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