SCHEMBL28031012

SCHEMBL28031012

O=C1CC(O)(c2ccccc2)Oc2cc(O)c(O)c(O)c21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.51
PLK1 P53350 1/20 0.48
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
BCL2 P10415 1/20 0.36
MCL1 Q07820 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 3/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
APEX1 P27695 1/20 0.34
HSP90AA1 P07900 1/20 0.34
PTPN1 P18031 1/20 0.33
HPGD P15428 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
SCHEMBL27883671 1.00 RIPK1 (0.51) RIPK1PLK1ALDH1A1POLBCRHBP
SCHEMBL27867197 0.85 RIPK1 (0.56) RIPK1PLK1ALDH1A1POLBCRHBP
SCHEMBL27867198 0.85 RIPK1 (0.56) RIPK1PLK1ALDH1A1POLBABCG2
SCHEMBL6528998 0.83 RIPK1 (0.59) RIPK1ALDH1A1POLBNPC1RAB9A
SCHEMBL31357424 0.80 RIPK1 (0.50) RIPK1ALDH1A1KDM4EHTTMEN1
SCHEMBL29500460 0.79 RIPK1 (0.53) RIPK1POLBABCG2NPC1RAB9A
SCHEMBL28506501 0.78 RIPK1 (0.41) RIPK1ALDH1A1NPC1KDM4EHTT
SCHEMBL6565166 0.78 RIPK1 (0.78) RIPK1ALDH1A1ABCG2NPC1RAB9A
SCHEMBL28502700 0.76 RIPK1 (0.47) RIPK1ALDH1A1POLBCRHBPCRHR2
SCHEMBL28500347 0.74 RIPK1 (0.47) RIPK1ALDH1A1POLBCRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113559207-A Traditional Chinese medicine composition for clearing lung, eliminating phlegm, relieving cough and asthma and application thereof 贵州优可安生物科技有限公司 2021-10-29 CN disclosed
CN-109239239-B Traditional Chinese medicine composition for clearing lung, eliminating phlegm, relieving cough and asthma and preparation method and application thereof 贵州优可安生物科技有限公司 2021-09-14 CN disclosed
CN-105288096-B Medicine for treating whelk 上海资医堂生物科技有限公司 2021-04-02 CN disclosed
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
CN-112022775-A Oral care product for resisting helicobacter pylori 福州比格艾普科技有限公司 2020-12-04 CN disclosed
CN-108186775-A A kind of mild Wound disinfectant and its preparation process 南通东康医疗科技有限公司 2018-06-22 CN disclosed
CN-104998034-A Chinese herbal medicine combination drug treating livestock respiratory diseases and preparation method thereof HENAN RUILANTE BIOLOG PHARMACEUTICAL CO LTD 2015-10-28 CN disclosed