SCHEMBL28824766

SCHEMBL28824766

C(OCC1CO1)C1CO1.CCC(C)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 5/20 0.38
GLA P06280 1/20 0.38
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
BCHE P06276 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 2/20 0.33
HPGD P15428 1/20 0.33
APOBEC3A P31941 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL1813515 0.81 TDP1 (0.46) TDP1ALDH1A1GLACHRM2CHRM4
SCHEMBL27994199 0.81 TDP1 (0.49) TDP1ALDH1A1GLACHRM2CHRM4
SCHEMBL2233513 0.80 RAB9A (0.46) TDP1ALDH1A1CHRM2CHRM1CHRM3
Phenyl Ethanol SCHEMBL27754019 0.76 TDP1 (0.47) TDP1ALDH1A1GLACHRM2CHRM4
SCHEMBL16492331 0.75 TDP1 (0.53) TDP1ALDH1A1GLACHRM2CHRM4
SCHEMBL17275005 0.74 TDP1 (0.45) TDP1ALDH1A1GLACHRM2CHRM4
SCHEMBL27454746 0.73 MTOR (0.47) TDP1ALDH1A1GLAPOLBCYP3A4
SCHEMBL27979461 0.73 TDP1 (0.47) TDP1ALDH1A1GLACHRM2CHRM4
Aminodiphenylmethane SCHEMBL27998810 0.72 TDP1 (0.50) TDP1ALDH1A1GLACHRM2CHRM4
SCHEMBL5704259 0.72 TDP1 (0.50) TDP1ALDH1A1GLACHRM2CHRM4

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
CN-110494468-B Glycidylamine epoxy resins based on AMES negative amines 阿迪蒂亚·比拉化工(泰国)有限公司 2022-08-23 CN disclosed