SCHEMBL28488698

SCHEMBL28488698

O=C(O)/C=C(/CC/C(=C/C(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.62
KDM4E B2RXH2 2/20 0.62
ATM Q13315 1/20 0.36
LMNA P02545 3/20 0.33
GABRR1 P24046 2/20 0.33
GABRR2 P28476 2/20 0.33
BLM P54132 2/20 0.33
GABRR3 A8MPY1 1/20 0.33
APEX1 P27695 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ABAT P80404 1/20 0.33
EGLN1 Q9GZT9 3/20 0.32
TP53 P04637 1/20 0.32
ALKBH5 Q6P6C2 1/20 0.32
SUCNR1 Q9BXA5 1/20 0.32
EGLN3 Q9H6Z9 1/20 0.32
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL19407225 0.92 TSHR (0.61) TSHRKDM4ELMNAGABRR1BLM
SCHEMBL860029 0.92 TSHR (0.61) TSHRKDM4ELMNAGABRR1BLM
SCHEMBL860028 0.92 TSHR (0.61) TSHRKDM4ELMNAGABRR1BLM
SCHEMBL10932417 0.88 TSHR (0.56) TSHRKDM4EATMLMNAAPEX1
SCHEMBL4532099 0.86 KDM4E (0.54) TSHRKDM4EATMABAT
SCHEMBL5981768 0.86 KDM4E (0.54) TSHRKDM4EATMABAT
SCHEMBL9410883 0.86 KDM4E (0.54) TSHRKDM4EATMABAT
SCHEMBL9410888 0.86 KDM4E (0.54) TSHRKDM4EATMABAT
SCHEMBL19745932 0.86 TSHR (0.54) TSHRKDM4ELMNAAPEX1TDP1
SCHEMBL2852465 0.86 KDM4E (0.54) TSHRKDM4EATMABAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116514690-B Sulfonate gemini surfactant and synthesis method thereof 四川科宏达集团有限责任公司 2023-10-03 CN disclosed
CN-116514690-A Sulfonate gemini surfactant and synthesis method thereof 四川科宏达集团有限责任公司 2023-08-01 CN disclosed
CN-107922788-B Two-part adhesive comprising phenoxyethyl methacrylate and tetrahydrofurfuryl methacrylate, and structure comprising cured material thereof 3M创新有限公司 2020-12-04 CN disclosed