SCHEMBL29640522

SCHEMBL29640522

COC(=O)c1cc(C)ccc1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.69
CA1 P00915 5/20 0.69
CA2 P00918 5/20 0.69
CA7 P43166 5/20 0.69
CA9 Q16790 5/20 0.69
CA14 Q9ULX7 5/20 0.69
CSNK2A1 P68400 1/20 0.62
LMNA P02545 2/20 0.57
TSHR P16473 1/20 0.57
PTGS2 P35354 1/20 0.56
CYP46A1 Q9Y6A2 1/20 0.54
KLF10 Q13118 1/20 0.54
PDK2 Q15119 1/20 0.53
PDK4 Q16654 1/20 0.53
NR4A2 P43354 2/20 0.51
XDH P47989 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GAA P10253 1/20 0.50
RAB9A P51151 3/20 0.49
EGFR P00533 2/20 0.49

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
SCHEMBL122473 1.00 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL23045197 0.98 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL135979 0.84 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL27361124 0.84 CSNK2A1 (0.62) CA12CA1CA2CA7CA9
SCHEMBL1206018 0.83 CYP46A1 (0.57) CA12CA1CA2CA7CA9
SCHEMBL27628979 0.82 CSNK2A1 (0.60) CA12CA1CA2CA7CA9
SCHEMBL23045195 0.82 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL10819683 0.82 CSNK2A1 (0.60) CA12CA1CA2CA7CA9
SCHEMBL1170022 0.82 CYP46A1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL30364839 0.82 CYP46A1 (0.56) CA12CA1CA2CA7CA9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4611741-A1 TARGETING ALLOSTERIC AND ORTHOSTERIC POCKETS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE Petra Pharma Corporation (US) 2025-09-10 EP disclosed
WO-2024097721-A1 TARGETING ALLOSTERIC AND ORTHOSTERIC POCKETS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PETRA PHARMA CORPORATION (US) 2024-05-10 WO disclosed
EP-4333984-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE Petra Pharma Corporation (US) 2024-03-13 EP disclosed
WO-2022235574-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PETRA PHARMA CORPORATION (US) 2022-11-10 WO disclosed
EP-4007748-A1 ENOL ETHER PROPERFUME Firmenich SA (CH) 2022-06-08 EP disclosed