SCHEMBL28500347

SCHEMBL28500347

Cc1c(O)cc(O)c2c1OC(O)(c1ccccc1)CC2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.47
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
CYP19A1 P11511 1/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
MAOA P21397 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
ATM Q13315 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
SCHEMBL28502700 0.85 RIPK1 (0.47) RIPK1CYP19A1ALDH1A1POLBCRHBP
SCHEMBL27789415 0.84 PTPN1 (0.44) RIPK1ALDH1A1POLBCRHBPCRHR2
SCHEMBL27926524 0.83 RIPK1 (0.53) RIPK1CYP19A1ALDH1A1POLBABCG2
SCHEMBL27661012 0.80 RIPK1 (0.52) RIPK1CYP19A1ALDH1A1POLBABCG2
SCHEMBL663481 0.79 RIPK1 (0.44) RIPK1CYP19A1POLBABCG2MEN1
SCHEMBL28045819 0.79 RIPK1 (0.51) RIPK1CYP19A1POLBMEN1MAPT
SCHEMBL28506501 0.77 RIPK1 (0.41) RIPK1ESR1ESR2ALDH1A1MEN1
SCHEMBL6528998 0.77 RIPK1 (0.59) RIPK1ESR1ESR2CYP19A1ALDH1A1
SCHEMBL27957133 0.75 RIPK1 (0.45) RIPK1CYP19A1POLBABCG2MEN1
SCHEMBL13646651 0.75 ALDH1A1 (0.58) ESR1ESR2ALDH1A1MEN1LMNA

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-108186775-B Mild wound disinfectant and preparation process thereof 南通东康医疗科技有限公司 2020-12-29 CN disclosed