SCHEMBL31311257

SCHEMBL31311257

COc1cccc(CNc2cncc(C)c2)c1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.63
MAPT P10636 7/20 0.63
ALDH1A1 P00352 5/20 0.63
NPC1 O15118 4/20 0.63
KDM4E B2RXH2 4/20 0.63
RAB9A P51151 3/20 0.63
HPGD P15428 3/20 0.63
NFKB1 P19838 2/20 0.63
NFKB2 Q00653 2/20 0.63
RELA Q04206 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
LMNA P02545 2/20 0.63
HTT P42858 2/20 0.63
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
ALOX15 P16050 2/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
SCHEMBL2044844 0.78 MAPT (0.66) GAAMAPTALDH1A1NPC1KDM4E
SCHEMBL25233068 0.78 ALOX12 (0.72) GAAMAPTALDH1A1NPC1KDM4E
SCHEMBL31311239 0.76 GAA (0.59) GAAMAPTALDH1A1NPC1KDM4E
SCHEMBL21504072 0.74 MAPT (0.61) GAAMAPTALDH1A1NPC1KDM4E
SCHEMBL26546320 0.72 ALOX12 (0.66) GAAMAPTALDH1A1NPC1KDM4E
SCHEMBL18356430 0.72 ALOX12 (0.82) ALOX15ALOX12
SCHEMBL21344768 0.72 ALOX12 (0.61) GAAMAPTALDH1A1NPC1KDM4E
SCHEMBL2040082 0.72 KDM4E (0.56) GAAMAPTALDH1A1NPC1KDM4E
SCHEMBL7567727 0.71 ALOX12 (0.60) GAAMAPTALDH1A1NPC1KDM4E
SCHEMBL25174209 0.71 MAPT (0.57) GAAMAPTALDH1A1NPC1KDM4E

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