SCHEMBL9113428

SCHEMBL9113428

CCCOC(=O)C(C)=CC(C)N

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 3/20 0.34
ALDH1A1 P00352 3/20 0.33
ESR1 P03372 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
KDR P35968 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
FAAH O00519 1/20 0.33
THRB P10828 1/20 0.32
LMNA P02545 2/20 0.31
POLB P06746 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL1293247 0.89 ALDH1A1 (0.47) HCAR2SMN1; SMN2TSHRALDH1A1ESR1
SCHEMBL6811026 0.86 TSHR (0.53) HCAR2TSHRALDH1A1FAAH
SCHEMBL23804468 0.86 TSHR (0.53) HCAR2TSHRALDH1A1FAAH
SCHEMBL3289816 0.85 GLO1 (0.44) GAASMN1; SMN2TSHRALDH1A1CYP2D6
SCHEMBL10830017 0.84 HCAR2 (0.35) HCAR2GAASMN1; SMN2TSHRALDH1A1
SCHEMBL27975126 0.83 HCAR2 (0.37) HCAR2GAASMN1; SMN2TSHRALDH1A1
SCHEMBL28027537 0.79 HCAR2 (0.34) HCAR2GAASMN1; SMN2TSHRALDH1A1
SCHEMBL4391884 0.76 TDP1 (0.39) TSHRALDH1A1TDP1
SCHEMBL717610 0.76 HCAR2 (0.41) HCAR2GAASMN1; SMN2TSHRALDH1A1
SCHEMBL730199 0.76 HCAR2 (0.43) HCAR2GAASMN1; SMN2TSHRALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5445743-A Methacrylate polymers as antifoulants in quench water systems NALCO CHEMICAL COMPANY (US) 1995-08-29 US claimed
CN-115785346-A Synthesis and application of pH-sensitive polymer containing non-pH-sensitive monomer 北京大学 2023-03-14 CN disclosed
CN-106462011-B Liquid crystal display element, liquid crystal alignment film, and liquid crystal alignment treatment agent 日产化学工业株式会社 2021-11-12 CN disclosed
US-5445743-A Methacrylate polymers as antifoulants in quench water systems NALCO CHEMICAL COMPANY (US) 1995-08-29 US disclosed
US-5445743-A Methacrylate polymers as antifoulants in quench water systems NALCO CHEMICAL COMPANY (US) 1995-08-29 US disclosed