SCHEMBL31311207

SCHEMBL31311207

COc1cccc(CNc2cnc(S(=O)(=O)Nc3nc(-c4ccc(F)c(F)c4)c(C4(O)COC4)s3)c(C)c2)c1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 15/20 0.37
ALOX15 P16050 4/20 0.37
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 1/20 0.33
SCN9A Q15858 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
PI4KB Q9UBF8 1/20 0.31

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
SCHEMBL31311299 0.94 ALOX12 (0.37) ALOX12ALOX15ALDH1A1LMNAGAA
SCHEMBL31311442 0.90 ALOX12 (0.47) ALOX12ALOX15ALDH1A1LMNAGAA
SCHEMBL31311209 0.89 MAPT (0.38) ALOX12ALOX15ALDH1A1LMNAGAA
SCHEMBL31311286 0.88 ALOX12 (0.39) ALOX12ALOX15ALDH1A1LMNAGAA
SCHEMBL31311260 0.86 PTGS1 (0.39) ALOX12ALOX15ALDH1A1LMNAGAA
SCHEMBL31311305 0.85 PTGS1 (0.37) ALOX12ALOX15ALDH1A1LMNAGAA
SCHEMBL31311159 0.85 PTGS1 (0.38) ALOX12ALOX15ALDH1A1LMNAGAA
SCHEMBL31311310 0.84 ALOX12 (0.36) ALOX12ALOX15ALDH1A1LMNAGAA
SCHEMBL31311313 0.83 MAPT (0.42) ALOX12ALOX15ALDH1A1LMNAGAA
SCHEMBL31311301 0.83 ALOX12 (0.47) ALOX12ALOX15ALDH1A1LMNAGAA

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-4731206-A2 COMPOSITIONS AND METHODS OF USE TO TREAT 12-LIPOXYGENASE (12-LOX) MEDIATED DISEASES Veralox Therapeutics Inc. (US) 2026-04-29 EP disclosed
WO-2024264032-A2 COMPOSITIONS AND METHODS OF USE TO TREAT 12-LIPOXYGENASE (12-LOX) MEDIATED DISEASES VERALOX THERAPEUTICS INC. (US) 2024-12-26 WO disclosed