SCHEMBL31729948

SCHEMBL31729948

COc1cc(C)c2c(ccn2C(=O)OC(C)(C)C)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 1/20 0.38
HTR6 P50406 1/20 0.37
PDE4B Q07343 4/20 0.35
PDE4A P27815 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
SLC22A12 Q96S37 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ACLY P53396 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
BCHE P06276 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
PKM P14618 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33

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
SCHEMBL31729933 0.93 BUB1 (0.37) BUB1HTR6PDE4BPDE4APDE4C
SCHEMBL23863654 0.88 BUB1 (0.36) BUB1HTR6PDE4BPDE4APDE4C
SCHEMBL31729934 0.88 BUB1 (0.37) BUB1HTR6L3MBTL1ACLYHSP90AA1
SCHEMBL31549571 0.87 BUB1 (0.44) BUB1HTR6SLC22A12L3MBTL1ACLY
SCHEMBL26126522 0.86 MTNR1A (0.36) BUB1HTR6PDE4BPDE4APDE4C
SCHEMBL30988673 0.85 BUB1 (0.36) BUB1HTR6PDE4DL3MBTL1ACLY
SCHEMBL29562625 0.84 KDM4E (0.34) BUB1HTR6PDE4BPDE4APDE4C
SCHEMBL29562748 0.84 BUB1 (0.34) BUB1HTR6PDE4BPDE4APDE4C
SCHEMBL16409382 0.84 BUB1 (0.34) BUB1HTR6PDE4BPDE4APDE4C
SCHEMBL15366130 0.84 KDM4E (0.34) BUB1HTR6PDE4BPDE4APDE4C

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
EP-4650351-A1 INHIBITOR OF COMPLEMENT FACTOR B Nanjing Chia Tai Tianqing Pharmaceutical Co., Ltd. (CN) 2025-11-19 EP disclosed