SCHEMBL27970747

SCHEMBL27970747

NC1(C(=O)O)C=Cc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KIF11 P52732 5/20 0.35
HSD11B1 P28845 1/20 0.34
NPC1L1 Q9UHC9 1/20 0.33
AKR1C1 Q04828 1/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
SCN4A P35499 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL31325165 1.00 THRB (0.38) THRBTDP1KIF11HSD11B1NPC1L1
SCHEMBL27860442 0.83 KIF11 (0.35) KIF11HSD11B1LMNATSHRMAPK1
SCHEMBL27860376 0.79 KIF11 (0.35) KIF11HSD11B1
SCHEMBL28032107 0.78 THRB (0.44) THRBTDP1KIF11HSD11B1NPC1L1
SCHEMBL2410771 0.77 ALDH1A1 (0.36) THRBTDP1LMNATSHRMAPK1
SCHEMBL6055589 0.76 THRB (0.41) THRBTDP1KIF11HSD11B1AKR1C1
SCHEMBL1500123 0.75 MAPT (0.45) TDP1TSHRMAPK1
SCHEMBL5488544 0.74 TDP1 (0.36) THRBTDP1KIF11HSD11B1AKR1C1
SCHEMBL14232376 0.73 CCKAR (0.39) THRBTDP1KIF11HSD11B1AKR1C1
SCHEMBL2408108 0.72 KIF11 (0.38) THRBTDP1KIF11AKR1C1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116036878-B Large-flux anti-pollution reverse osmosis membrane, preparation method and application thereof 万华化学集团股份有限公司 2024-12-03 CN claimed
CN-116036878-A Large-flux anti-pollution reverse osmosis membrane, preparation method and application thereof 万华化学集团股份有限公司 2023-05-02 CN claimed
CN-116036878-B Large-flux anti-pollution reverse osmosis membrane, preparation method and application thereof 万华化学集团股份有限公司 2024-12-03 CN disclosed
CN-119053336-A Compositions and methods for treating autoimmune disorders 密执安大学评议会 2024-11-29 CN disclosed
CN-118019768-A Targeted delivery of therapeutic enzymes 吉尼瑞姆股份公司 2024-05-10 CN disclosed
CN-116036878-A Large-flux anti-pollution reverse osmosis membrane, preparation method and application thereof 万华化学集团股份有限公司 2023-05-02 CN disclosed
CN-114302741-A Compositions and methods for treating autoimmune disorders 密执安大学评议会 2022-04-08 CN disclosed
CN-104072486-A BI-1H-BENZIMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO 2014-10-01 CN disclosed
CN-102177141-B bis-1H-benzimidazoles as hepatitis C virus inhibitors BRISTOL MYERS SQUIBB CO 2014-07-23 CN disclosed