SCHEMBL28334094

SCHEMBL28334094

C(OCC1CO1)C1CO1.C=CCNC(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 1/20 0.41
MTOR P42345 1/20 0.39
RAB9A P51151 1/20 0.39
GRM7 Q14831 1/20 0.39
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.38
GLA P06280 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
HIF1A Q16665 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MGLL Q99685 3/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALOX5 P09917 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 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
SCHEMBL6724867 0.80 MTOR (0.58) ALDH1A1TDP1MTORRAB9AGRM7
SCHEMBL27454746 0.79 MTOR (0.47) ALDH1A1TDP1MTORRAB9AGRM7
SCHEMBL637177 0.75 TDP1 (0.44) ALDH1A1TDP1CYP3A4TSHRGLA
SCHEMBL16492331 0.75 TDP1 (0.53) ALDH1A1TDP1CYP3A4TSHRGLA
Allylbenzene SCHEMBL1358355 0.73 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRALOX15
SCHEMBL27511033 0.72 TDP1 (0.44) ALDH1A1TDP1GLAMEN1KMT2A
Styrene SCHEMBL1355033 0.72 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRGLA
Aminodiphenylmethane SCHEMBL27998810 0.72 TDP1 (0.50) ALDH1A1TDP1CYP3A4TSHRGLA
SCHEMBL5704259 0.72 TDP1 (0.50) ALDH1A1TDP1CYP3A4TSHRGLA
SCHEMBL28824766 0.72 TDP1 (0.41) ALDH1A1TDP1CYP3A4TSHRGLA

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
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
CN-110494468-A Glycidyl amine epoxy resin based on AMES feminine gender amine ADITYA BIRLA CHEMICALS THAILAND LTD 2019-11-22 CN disclosed