SCHEMBL23399301

SCHEMBL23399301

CCCn1nc(O)c(-c2ccccc2)c1CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
CRHBP P24387 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
CRHR2 Q13324 1/20 0.40
GAA P10253 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA4 P48058 1/20 0.40
ESR1 P03372 3/20 0.38
NR1H3 Q13133 1/20 0.37
ESR2 Q92731 1/20 0.37
ALDH1A1 P00352 2/20 0.36
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36

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
SCHEMBL23399619 0.91 NR1H3 (0.48) KDM4EMAPTTSHRMEN1CRHBP
SCHEMBL23400007 0.89 MAPT (0.40) CASP1CASP7KDM4EMAPTTSHR
SCHEMBL23401106 0.87 SMN1; SMN2 (0.40) CASP1CASP7KDM4EMEN1CRHBP
SCHEMBL23402369 0.87 HSD11B1 (0.41) CASP1CASP7KDM4EMAPTTSHR
SCHEMBL23400398 0.86 GRIA2 (0.41) KDM4EMEN1KMT2AGRIA2GRIA4
SCHEMBL23401361 0.85 MEN1 (0.37) CASP1CASP7KDM4EMAPTTSHR
SCHEMBL23399690 0.83 PTGIR (0.45) CASP1CASP7KDM4EMAPTTSHR
SCHEMBL23400439 0.83 ESR1 (0.42) CASP1CASP7KDM4EMAPTTSHR
SCHEMBL23400366 0.82 GRIA2 (0.43) CASP1CASP7KDM4EMAPTGAA
SCHEMBL23399955 0.82 DPP4 (0.40) CASP1CASP7KDM4EGRIA2GRIA4

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