SCHEMBL21586945

SCHEMBL21586945

CC(C)(C)c1cc(OCc2ccccc2)cc(-n2nc3ccc(S(=O)(=O)c4ccccc4)cc3n2)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP19A1 P11511 1/20 0.36
SPHK1 Q9NYA1 6/20 0.35
SPHK2 Q9NRA0 4/20 0.35
CTRC Q99895 1/20 0.35
MAPK14 Q16539 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSP90AA1 P07900 1/20 0.35
CD4 P01730 2/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
ESRRA P11474 1/20 0.34

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
SCHEMBL23636564 0.88 ACSS2 (0.37) CYP1A1CYP1A2CYP19A1SPHK1SPHK2
SCHEMBL21586949 0.88 CNR2 (0.34) CNR2HTR6
SCHEMBL21586964 0.88 PTGS2 (0.37) CTRCCNR2
SCHEMBL31651459 0.88 CNR2 (0.34) CNR2HTR6
SCHEMBL21586972 0.85 POLB (0.37) MEN1KMT2ACNR2HTR6
SCHEMBL21586963 0.84 MAOB (0.41) CYP1A1CYP1A2CYP19A1ESRRA
SCHEMBL13021504 0.84 MAOB (0.46) CYP1A2CA1CA2ESRRA
SCHEMBL769483 0.82 POLB (0.37) CYP1A2CNR2HTR6
SCHEMBL30397522 0.82 POLB (0.46) MEN1KMT2ACA2CNR2
SCHEMBL21586956 0.82 POLB (0.46) MEN1KMT2ACA2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3578550-B1 NOVEL RED-SHIFTING BENZOTRIAZOLE UV ABSORBERS EVERLIGHT CHEM IND CORP (TW) 2023-08-16 EP disclosed
EP-3578550-A1 NOVEL BENZOTRIAZOLE UV ABSORBER WITH RED SHIFT AND USE THEREOF Everlight Chemical Industrial Corporation (TW) 2019-12-11 EP disclosed