SCHEMBL28909976

SCHEMBL28909976

CCCCC(CC)COCC(O)N(CCO)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ CA2 P00918 1/20 0.41
▸ LMNA P02545 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ PRSS2 P07478 1/20 0.38
▸ PRSS3 P35030 1/20 0.38
▸ MAPK1 P28482 3/20 0.37
▸ MAPT P10636 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ TSHR P16473 4/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ POLB P06746 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ NPBWR1 P48145 1/20 0.33
▸ NPSR1 Q6W5P4 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
SCHEMBL8281048 0.83 ALDH1A1 (0.53) ALDH1A1CYP3A4CA2LMNAKDM4E
SCHEMBL8543593 0.80 ALDH1A1 (0.46) ALDH1A1CYP3A4CA2LMNAKDM4E
SCHEMBL26429167 0.78 POLB (0.51) ALDH1A1CYP3A4CA2LMNAKDM4E
SCHEMBL23633829 0.75 CYP3A4 (0.47) ALDH1A1CYP3A4CA2LMNAKDM4E
SCHEMBL23363018 0.75 ALDH1A1 (0.44) ALDH1A1CYP3A4CA2LMNAKDM4E
Benzyl Alcohol SCHEMBL21121521 0.74 ALDH1A1 (0.46) ALDH1A1CYP3A4CA2LMNAKDM4E
SCHEMBL8281052 0.73 ALDH1A1 (0.40) ALDH1A1CYP3A4CA2LMNAKDM4E
SCHEMBL14629715 0.72 ALDH1A1 (0.51) ALDH1A1CYP3A4CA2LMNAKDM4E
SCHEMBL28793292 0.71 ALDH1A1 (0.40) ALDH1A1CYP3A4CA2LMNAKDM4E
SCHEMBL28541195 0.71 ALDH1A1 (0.44) ALDH1A1CYP3A4CA2LMNAKDM4E

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-112239609-B Associative thickeners without biocides 罗门哈斯公司 2023-08-15 — — CN disclosed
CN-112239609-A Associative thickeners free of biocides 罗门哈斯公司 2021-01-19 — — CN disclosed
Send feedback