SCHEMBL28101447

SCHEMBL28101447

COc1ccccc1COC(=O)c1c(OC)cccc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
IDO1 P14902 2/20 0.51
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
ELANE P08246 1/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL28097037 0.89 MEN1 (0.52) MEN1KMT2AL3MBTL1IDO1ALDH1A1
SCHEMBL6667180 0.83 PPARG (0.58) MEN1KMT2AL3MBTL1IDO1ALDH1A1
SCHEMBL27638666 0.83 KMT2A (0.61) MEN1KMT2AL3MBTL1ALDH1A1CA12
SCHEMBL286684 0.82 IDO1 (0.58) MEN1KMT2AL3MBTL1IDO1ALDH1A1
SCHEMBL10827236 0.81 IDO1 (0.56) MEN1KMT2AL3MBTL1IDO1ALDH1A1
SCHEMBL1030014 0.81 IDO1 (0.56) MEN1KMT2AL3MBTL1IDO1ALDH1A1
SCHEMBL18398576 0.81 IDO1 (0.56) MEN1KMT2AL3MBTL1IDO1ALDH1A1
SCHEMBL31072414 0.81 IDO1 (0.56) MEN1KMT2AL3MBTL1IDO1ALDH1A1
SCHEMBL9271624 0.81 LMNA (0.57) MEN1KMT2AIDO1ALDH1A1TSHR
SCHEMBL9330680 0.80 ALDH1A1 (0.55) MEN1KMT2AALDH1A1TSHRRXFP1

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-118948925-A A composition extracted from Celastrus orbiculatus plant for treating cancer, and its preparation method and application 广西仙手棋药业科技有限公司 2024-11-15 CN claimed
CN-118948925-A A composition extracted from Celastrus orbiculatus plant for treating cancer, and its preparation method and application 广西仙手棋药业科技有限公司 2024-11-15 CN disclosed
CN-117959276-A A composition extracted from Celastrus orbiculatus plant for treating cancer, and its preparation method and application 广西仙手棋药业科技有限公司 2024-05-03 CN disclosed
CN-106110116-A Chinese medicine composition containing Radix Helicteris and preparation method thereof 广西万德药业有限公司 2016-11-16 CN disclosed
CN-106075229-A A kind of Chinese medicinal composition preparation treating anemopyretic cold 广西万德药业有限公司 2016-11-09 CN disclosed
CN-105999166-A Formula and preparation method of traditional Chinese medicine for treating chilblain 三峡大学 2016-10-12 CN disclosed
CN-105998977-A Anti-cold medicine preparation 广西万德药业有限公司 2016-10-12 CN disclosed