SCHEMBL30370613

SCHEMBL30370613

CCc1oc2c(C(C)O)cc(C)cc2c(=O)c1S

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.33
CDK2 P24941 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL30307574 0.73 PIK3CA (0.34) PIK3CA
SCHEMBL23887394 0.73 PIK3CA (0.34) PIK3CA
SCHEMBL25679548 0.73 PIK3CA (0.34) PIK3CA
SCHEMBL31035274 0.72 PIK3CA (0.36) PIK3CACDK2KDM4EHSD17B10
SCHEMBL31035774 0.71 AKT1 (0.37) PIK3CACDK2KDM4EHSD17B10
SCHEMBL31035348 0.69 ALDH1A1 (0.32) KDM4EHSD17B10
SCHEMBL30889677 0.68 PIK3CA (0.38) PIK3CA
SCHEMBL30064040 0.68 PIK3CA (0.39) PIK3CACDK2
SCHEMBL23887051 0.68 PIK3CA (0.39) PIK3CACDK2
SCHEMBL31035499 0.68 PIK3CA (0.38) PIK3CA

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-4126851-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASES ASSOCIATED WITH P13K MODULATION Petra Pharma Corporation (US) 2023-02-08 EP disclosed