SCHEMBL23398954

SCHEMBL23398954

COc1ccc(-n2nc(-c3ccc(C)cc3)c(O)c2C(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
PTGS2 P35354 3/20 0.44
PTGS1 P23219 2/20 0.44
CNR1 P21554 1/20 0.44
CCKAR P32238 4/20 0.43
CFTR P13569 1/20 0.41
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
CUL4A Q13619 1/20 0.40
SRC P12931 1/20 0.40
BRAF P15056 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL23400754 0.91 ESR1 (0.42) TP53PTGS2CNR1SRCBRAF
SCHEMBL23400029 0.88 RPA1 (0.47) PTGS2PTGS1CNR1HPGDHTT
SCHEMBL23403248 0.84 MEN1 (0.43) CNR1
SCHEMBL23398755 0.84 CCNA2 (0.46) PTGS1CNR1
SCHEMBL23402349 0.84 PTGS2 (0.51) TP53PTGS2PTGS1CNR1CCKAR
SCHEMBL23402549 0.83 TP53 (0.49) TP53PTGS2PTGS1CNR1CCKAR
SCHEMBL23402038 0.82 PTGS1 (0.44) PTGS2PTGS1CCKARCFTRHPGD
SCHEMBL23401294 0.81 CCKAR (0.45) TP53PTGS2PTGS1CNR1CCKAR
SCHEMBL23403380 0.81 LMNA (0.48) PTGS2PTGS1HPGD
SCHEMBL23401977 0.80 TP53 (0.47) TP53PTGS2PTGS1CNR1CCKAR

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed