SCHEMBL30529973

SCHEMBL30529973

CN(C)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.43
LIPG Q9Y5X9 12/20 0.43
DGAT1 O75907 2/20 0.42
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
ESR2 Q92731 1/20 0.37
F11 P03951 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
SCHEMBL1284621 1.00 LPL (0.43) LPLLIPGDGAT1CA1CA2
SCHEMBL31212547 0.84 DGAT1 (0.44) LPLLIPGDGAT1ESR2F11
SCHEMBL3514966 0.84 DGAT1 (0.44) LPLLIPGDGAT1ESR2F11
SCHEMBL15805950 0.82 GBA1 (0.47) LPLLIPGDGAT1CA1CA2
SCHEMBL4553845 0.82 DGAT1 (0.45) LPLLIPGDGAT1CA1CA2
SCHEMBL29855985 0.82 DGAT1 (0.45) LPLLIPGDGAT1CA1CA2
SCHEMBL2601603 0.80 LPL (0.49) LPLLIPGDGAT1
SCHEMBL31212544 0.79 LPL (0.47) LPLLIPGDGAT1ESR2F11
SCHEMBL15941165 0.79 DGAT1 (0.42) LPLLIPGDGAT1CA1CA2
SCHEMBL31081894 0.78 DGAT1 (0.43) LPLLIPGDGAT1

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
EP-4472956-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE Bristol-Myers Squibb Company (US) 2024-12-11 EP disclosed
WO-2023147531-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-03 WO disclosed