SCHEMBL30389656

SCHEMBL30389656

CN(CC(=O)O)C[C@H](O)c1cccc(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.51
HIF1A Q16665 4/20 0.49
ADRB1 P08588 2/20 0.49
ADRA1A P35348 2/20 0.49
ADRB2 P07550 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
ADRB3 P13945 1/20 0.49
TSHR P16473 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
NFKB1 P19838 1/20 0.49
DRD1 P21728 1/20 0.49
HTR7 P34969 1/20 0.49
ADRA1B P35368 1/20 0.49
DRD3 P35462 1/20 0.49
RAB9A P51151 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KDM4E B2RXH2 4/20 0.48
LMNA P02545 3/20 0.48

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
SCHEMBL10206558 0.81 HIF1A (0.55) KYNUHIF1AADRB1ADRA1AADRB2
SCHEMBL9722026 0.81 HIF1A (0.55) KYNUHIF1AADRB1ADRA1AADRB2
SCHEMBL28993748 0.79 KDM4E (0.56) KYNUHIF1AADRB1ADRA1AADRB2
SCHEMBL7099619 0.79 KDM4E (0.56) KYNUHIF1AADRB1ADRA1AADRB2
SCHEMBL24951572 0.79 SLC22A1 (0.59) KYNUHIF1AADRB1ADRA1AADRB2
SCHEMBL6491746 0.79 SLC22A1 (0.59) KYNUHIF1AADRB1ADRA1AADRB2
SCHEMBL8439197 0.79 SLC22A1 (0.59) KYNUHIF1AADRB1ADRA1AADRB2
Hydrochloric Acid SCHEMBL7106622 0.78 KDM4E (0.54) KYNUHIF1AADRB1ADRA1AADRB2
SCHEMBL19055952 0.78 HIF1A (0.50) KYNUHIF1AADRB1ADRA1AADRB2
SCHEMBL5206679 0.77 NAMPT (0.49) KYNUHIF1AADRB1ADRA1AADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116046948-B Related substance analysis method of compound preparation ibuprofen renin tablet 南京工业大学 2025-04-08 CN claimed
CN-116046948-A Related substance analysis method of compound preparation ibuprofen renin tablet 南京工业大学 2023-05-02 CN claimed
CN-116046948-B Related substance analysis method of compound preparation ibuprofen renin tablet 南京工业大学 2025-04-08 CN disclosed
CN-116046948-A Related substance analysis method of compound preparation ibuprofen renin tablet 南京工业大学 2023-05-02 CN disclosed