SCHEMBL24840306

SCHEMBL24840306

Bc1c(F)cc(C)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.48
ERN1 O75460 1/20 0.36
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 3/20 0.35
TUBB1 Q9H4B7 4/20 0.33
CYP3A4 P08684 1/20 0.33
HTT P42858 2/20 0.32
NFE2L2 Q16236 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32

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
SCHEMBL8117527 0.84 ACHE (0.59) ACHEERN1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL5359171 0.80 RAB9A (0.33) ALDH1A1SMN1; SMN2LMNATUBB1CYP3A4
SCHEMBL17864550 0.77 ACHE (0.52) ACHEERN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL8056786 0.77 ACHE (0.52) ACHEERN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL14430069 0.74 ERN1 (0.53) ACHEERN1ALDH1A1LMNANFE2L2
SCHEMBL11962257 0.72 ACHE (0.52) ACHEERN1ALDH1A1TUBB1TUBB4A
SCHEMBL20226996 0.71 ACHE (0.45) ACHEERN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL19504310 0.71 ACHE (0.45) ACHEERN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL30994812 0.69 ACHE (0.43) ACHEERN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL17027285 0.69 ACHE (0.43) ACHEERN1ALDH1A1SMN1; SMN2LMNA

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
WO-2023278438-A1 NLRP3 MODULATORS ZOMAGEN BIOSCIENCES LTD (US) 2023-01-05 WO disclosed