SCHEMBL29045330

SCHEMBL29045330

COCC(NC(=O)OC(C)(C)C)C(C(C)=O)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA7 P43166 2/20 0.46
▸ CTSK P43235 5/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ KLK5 Q9Y337 2/20 0.39
▸ CYP2D6 P10635 1/20 0.36
▸ SYK P43405 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CTSS P25774 2/20 0.35
▸ PPARA Q07869 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34

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
SCHEMBL29045275 0.84 CA1 (0.49) CA1CA2CA7CTSKCA4
SCHEMBL3370592 0.79 CA1 (0.67) CA1CA2CA7CTSKCA4
SCHEMBL7420759 0.79 CA1 (0.67) CA1CA2CA7CTSKCA4
SCHEMBL18138345 0.78 CA1 (0.56) CA1CA2CA7CTSKCA4
SCHEMBL14923494 0.78 CA1 (0.56) CA1CA2CA7CTSKCA4
SCHEMBL14923491 0.76 CTSS (0.49) CA1CA2CA7CTSKCYP1A2
SCHEMBL17347631 0.76 CTSS (0.49) CA1CA2CA7CTSKCYP1A2
SCHEMBL1688822 0.76 CTSS (0.50) CA1CA2CA7CTSKCYP1A2
SCHEMBL3389057 0.73 CA1 (0.49) CA1CA2CA7CTSKCYP2D6
SCHEMBL29045316 0.73 CYP2D6 (0.53) CA1CA2CA7CTSKCA4

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 3 patents. 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
EP-4204423-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME Vertex Pharmaceuticals Incorporated (US) 2023-07-05 — — EP disclosed
WO-2022047031-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-03-03 — — WO disclosed
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