SCHEMBL25988976

SCHEMBL25988976

CCC(C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.51
CA2 P00918 8/20 0.51
CA7 P43166 2/20 0.51
CA14 Q9ULX7 2/20 0.51
CA9 Q16790 7/20 0.49
CA12 O43570 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
LPL P06858 5/20 0.44
LIPG Q9Y5X9 5/20 0.44
HSD17B10 Q99714 2/20 0.43
CXCR2 P25025 1/20 0.41

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
SCHEMBL2698635 0.85 CA1 (0.53) CA1CA2CA7CA14CA9
SCHEMBL20837729 0.82 CA1 (0.46) CA1CA2CA7CA14CA9
SCHEMBL15985342 0.80 CA1 (0.53) CA1CA2CA7CA14CA9
SCHEMBL20911812 0.80 CA1 (0.53) CA1CA2CA7CA14CA9
SCHEMBL31144699 0.79 ATM (0.56)
SCHEMBL15981335 0.79 PTPN1 (0.58) CA1CA2CA7CA14CA9
SCHEMBL1284377 0.77 CA1 (0.57) CA1CA2CA7CA14CA9
SCHEMBL706622 0.77 CA1 (0.57) CA1CA2CA7CA14CA9
SCHEMBL441226 0.77 CA1 (0.51) CA1CA2CA7CA14CA9
SCHEMBL25388983 0.77 TP53 (0.57) CA1CA2CA7CA14CA9

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
US-11733435-B2 Polarizing plate protective film, polarizing plate, and liquid crystal display device FUJIFILM CORPORATION (JP) 2023-08-22 US disclosed