SCHEMBL24580449

SCHEMBL24580449

BC(B)(N)c1cc(OC)c2c(c1)OC(C)CO2

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ACHE P22303 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
CYP3A4 P08684 1/20 0.31
CSF1R P07333 1/20 0.30

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
SCHEMBL24580297 0.86 MAOA (0.33) ALDH1A1GAASMN1; SMN2ACHEMAOA
SCHEMBL24579434 0.74 ADRA1D (0.31) SMN1; SMN2CSF1R
SCHEMBL24580175 0.72 CYP3A4 (0.43) ALDH1A1SMN1; SMN2MAOAMAOBCYP3A4
SCHEMBL24579545 0.72 CSF1R (0.42) CSF1R
SCHEMBL24580574 0.71 MEN1 (0.44) ALDH1A1GAASMN1; SMN2CYP3A4
SCHEMBL24580573 0.70 PLK1 (0.48) ALDH1A1GAASMN1; SMN2CYP3A4
SCHEMBL13998649 0.69 ADRA1D (0.50) ALDH1A1MAOAMAOBCYP3A4
SCHEMBL24576229 0.66 CSF1R (0.54) CSF1R
SCHEMBL20021303 0.66 POLB (0.33)
SCHEMBL5305762 0.65 CYP3A4 (0.51) ALDH1A1SMN1; SMN2ACHECYP3A4

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-2022140528-A1 DEUTERATED COLONY STIMULATING FACTOR-1 RECEPTOR (CSF-1R) INHIBITORS GENZYME CORPORATION (US) 2022-06-30 WO disclosed