SCHEMBL29149706

SCHEMBL29149706

CC(C)(O)C(C)(C)O.OB(O)c1ccn[nH]1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30

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
Hydrochloric Acid SCHEMBL18209851 0.85
Water SCHEMBL15670700 0.85
SCHEMBL725340 0.67 HCAR2 (0.39) CYP19A1HCAR2POLB
SCHEMBL6995592 0.66
SCHEMBL2126226 0.64 MGLL (0.41) CYP19A1
SCHEMBL28525520 0.63 CA2 (0.57)
SCHEMBL28470750 0.63 CA2 (0.57)
SCHEMBL30782569 0.63 USP2 (0.42) CYP19A1HCAR2
Boric Acid SCHEMBL28157741 0.61 CA1 (0.48) MEN1POLBKMT2A
SCHEMBL24880080 0.61 CYP19A1 (0.38) CYP19A1HCAR2MEN1POLBKMT2A

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
CN-117247386-A Pyrazolopyrimidine compounds, compositions, methods of preparation and uses thereof 江苏亚尧生物科技有限公司 2023-12-19 CN disclosed