SCHEMBL28436765

SCHEMBL28436765

CCCCCCc1c(C)ccc(C(N)=O)c1CCCCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 3/20 0.45
NR1I2 O75469 1/20 0.45
LMNA P02545 1/20 0.45
CHRM2 P08172 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADRA2A P08913 1/20 0.45
OPRK1 P41145 1/20 0.45
HTR2B P41595 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
RARB P10826 7/20 0.44
PPARA Q07869 2/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL1049187 0.93 MEN1 (0.50) MEN1KMT2AMAPTNR1I2LMNA
SCHEMBL6534893 0.93 MEN1 (0.50) MEN1KMT2AMAPTNR1I2LMNA
SCHEMBL27265024 0.93 MEN1 (0.50) MEN1KMT2AMAPTNR1I2LMNA
SCHEMBL29074022 0.93 MEN1 (0.50) MEN1KMT2AMAPTNR1I2LMNA
SCHEMBL8780461 0.93 MEN1 (0.50) MEN1KMT2AMAPTNR1I2LMNA
SCHEMBL27702319 0.88 NOS2 (0.41) MEN1KMT2AMAPTNR1I2LMNA
SCHEMBL8780464 0.87 PPARA (0.53) MEN1KMT2AMAPTNR1I2LMNA
SCHEMBL31186255 0.87 PPARA (0.53) MEN1KMT2AMAPTNR1I2LMNA
SCHEMBL9781027 0.86 MEN1 (0.45) MEN1KMT2AMAPTNR1I2LMNA
SCHEMBL6013408 0.85 LMNA (0.51) MEN1KMT2AMAPTNR1I2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107619950-B Extraction composition, extraction system and application thereof 中国科学院上海有机化学研究所 2021-04-20 CN claimed
CN-107441764-B Extraction composition, extraction system and application thereof 中国科学院上海有机化学研究所 2021-04-20 CN claimed
CN-107447116-B Extraction composition, extraction system, extraction method and back extraction method 中国科学院上海有机化学研究所 2021-01-19 CN claimed
CN-107447109-B Extraction composition, extraction system, extraction method and back extraction method 中国科学院上海有机化学研究所 2020-08-07 CN claimed
CN-107619932-B Extraction composition, extraction system and application thereof 中国科学院上海有机化学研究所 2020-08-07 CN claimed
CN-107441766-B Extraction composition, extraction system and application thereof 中国科学院上海有机化学研究所 2021-06-08 CN disclosed
CN-107441767-B Extraction composition, extraction system and application thereof 中国科学院上海有机化学研究所 2021-04-20 CN disclosed
CN-107619950-B Extraction composition, extraction system and application thereof 中国科学院上海有机化学研究所 2021-04-20 CN disclosed
CN-107441764-B Extraction composition, extraction system and application thereof 中国科学院上海有机化学研究所 2021-04-20 CN disclosed
CN-107447117-B Extraction composition, extraction system, extraction method and back extraction method 中国科学院上海有机化学研究所 2021-01-19 CN disclosed
CN-107447116-B Extraction composition, extraction system, extraction method and back extraction method 中国科学院上海有机化学研究所 2021-01-19 CN disclosed
CN-107447116-B Extraction composition, extraction system, extraction method and back extraction method 中国科学院上海有机化学研究所 2021-01-19 CN disclosed
CN-107447118-B Extraction composition, extraction system, extraction method and back extraction method 中国科学院上海有机化学研究所 2020-12-29 CN disclosed
CN-107619933-B Extraction composition, extraction system and application thereof 中国科学院上海有机化学研究所 2020-08-07 CN disclosed
CN-107447109-B Extraction composition, extraction system, extraction method and back extraction method 中国科学院上海有机化学研究所 2020-08-07 CN disclosed
CN-107619934-B Extraction composition, extraction system and application thereof 中国科学院上海有机化学研究所 2020-08-07 CN disclosed
CN-107447108-B Extraction composition, extraction system, extraction method and back extraction method 中国科学院上海有机化学研究所 2020-08-07 CN disclosed
CN-107619935-B Extraction composition, extraction system and application thereof 中国科学院上海有机化学研究所 2020-08-07 CN disclosed
CN-107619932-B Extraction composition, extraction system and application thereof 中国科学院上海有机化学研究所 2020-08-07 CN disclosed