SCHEMBL31337488

SCHEMBL31337488

COC(=O)c1c[nH]c(=O)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
ALDH1A1 P00352 4/20 0.44
BAZ2B Q9UIF8 1/20 0.44
BAZ2A Q9UIF9 1/20 0.44
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 3/20 0.41
GAA P10253 3/20 0.41
XDH P47989 2/20 0.41
LMNA P02545 2/20 0.41
NFKB1 P19838 1/20 0.41
GFER P55789 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
FUT7 Q11130 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
SCHEMBL20661372 0.82 ALDH1A1 (0.49) POLBALDH1A1CA12CA1CA2
SCHEMBL14333224 0.81 LMNA (0.55) POLBALDH1A1BAZ2BBAZ2ACA12
SCHEMBL12489190 0.81 HTT (0.47) ALDH1A1BRD4TSHRNOTUM
SCHEMBL77311 0.80 NOTUM (0.59) POLBALDH1A1BAZ2BBAZ2ACA12
SCHEMBL14333307 0.80 POLB (0.44) POLBALDH1A1BAZ2BBAZ2ACA12
SCHEMBL6300267 0.80 KDM4E (0.50) POLBALDH1A1BAZ2BBAZ2ACA12
SCHEMBL14333127 0.80 MAPT (0.47) POLBALDH1A1BAZ2BBAZ2ACA12
SCHEMBL4538667 0.80 POLB (0.44) POLBALDH1A1BAZ2BBAZ2ACA12
SCHEMBL544803 0.80 PKM (0.47) POLBALDH1A1BAZ2BBAZ2ACA12
SCHEMBL924812 0.80 NOTUM (0.45) POLBALDH1A1BAZ2BBAZ2ACA12

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
WO-2025050636-A1 MACROCYCLIC PYRAZOLOPYRIMIDINE COMPOUND AND USE THEREOF 浙江养生堂天然药物研究所有限公司 2025-03-13 WO disclosed
CN-119552171-A Macrocyclic pyrazolopyrimidine compound and application thereof 浙江养生堂天然药物研究所有限公司 2025-03-04 CN disclosed