SCHEMBL29601267

SCHEMBL29601267

CN1[C@H]2CC[C@]1(C(=O)C(CO)c1ccccc1)C[C@H](O)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.46
CHRM2 P08172 4/20 0.46
CHRM5 P08912 3/20 0.46
CHRM3 P20309 3/20 0.46
CHRM4 P08173 3/20 0.46
KMT2A Q03164 3/20 0.46
HTR2C P28335 2/20 0.46
LMNA P02545 2/20 0.46
NFKB1 P19838 2/20 0.46
MEN1 O00255 2/20 0.46
BLM P54132 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
ADRA2C P18825 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
SLC22A1 O15245 1/20 0.46
ADRA1D P25100 1/20 0.46
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL7265277 0.77 LMNA (0.39) CHRM1CHRM2CHRM5CHRM3CHRM4
SCHEMBL10355569 0.75 LMNA (0.36) LMNA
SCHEMBL503732 0.73 LMNA (0.35) CHRM1CHRM2CHRM3LMNA
SCHEMBL7871647 0.72 CHRM1 (0.65) CHRM1CHRM2CHRM5CHRM3CHRM4
SCHEMBL8781384 0.70 LMNA (0.35) CHRM1CHRM2CHRM3LMNA
SCHEMBL5493343 0.69 LMNA (0.34) LMNAPOLB
SCHEMBL10715542 0.68 CHRM3 (0.39) CHRM1CHRM2CHRM5CHRM3CHRM4
SCHEMBL29403400 0.68 CHRM1 (0.63) CHRM1CHRM2CHRM5CHRM3CHRM4
SCHEMBL7281820 0.68 CYP2D6 (0.40) KMT2ALMNAMEN1POLBTSHR
SCHEMBL7349981 0.67 LMNA (0.32) CHRM1CHRM2CHRM3KMT2ALMNA

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
EP-3996644-A1 MULTI-AGENT OCULAR FORMULATIONS AND TREATMENT METHODS University of Utah Research Foundation (US) 2022-05-18 EP disclosed