SCHEMBL29045275

SCHEMBL29045275

CCC(NC(=O)OC(C)(C)C)C(C(C)=O)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.49
▸ CA2 P00918 2/20 0.49
▸ CA7 P43166 2/20 0.49
▸ CTSK P43235 7/20 0.42
▸ CTSS P25774 3/20 0.42
▸ CA4 P22748 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SYK P43405 1/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ KLK5 Q9Y337 2/20 0.38
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL29045330 0.84 CA1 (0.46) CA1CA2CA7CTSKCTSS
SCHEMBL6842368 0.82 CYP1A2 (0.50) CA1CA2CA7CTSKCTSS
SCHEMBL38665117 0.78 CA1 (0.71) CA1CA2CA7CTSKCTSS
SCHEMBL21729511 0.78 CA1 (0.56) CA1CA2CA7CTSKCTSS
SCHEMBL26405353 0.78 CA1 (0.56) CA1CA2CA7CTSKCTSS
SCHEMBL14098271 0.78 CA1 (0.71) CA1CA2CA7CTSKCTSS
SCHEMBL24669522 0.76 CA1 (0.59) CA1CA2CA7CTSKCTSS
SCHEMBL14980856 0.76 CA1 (0.54) CA1CA2CA7CTSKCTSS
SCHEMBL3389500 0.76 CA1 (0.59) CA1CA2CA7CTSKCTSS
SCHEMBL15081309 0.76 CA1 (0.59) CA1CA2CA7CTSKCTSS

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-116547287-A Inhibitors of APOL1 and methods of use thereof 弗特克斯药品有限公司 2023-08-04 — — CN disclosed
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