SCHEMBL28616124

SCHEMBL28616124

CCOC(=O)OC(=O)N1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.54
TSHR P16473 2/20 0.48
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 2/20 0.47
HTT P42858 1/20 0.47
THRB P10828 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 4/20 0.44
RECQL P46063 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.41
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.39

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
Hydrochloric Acid SCHEMBL28747265 0.98 SOAT1 (0.52) SOAT1TSHRALDH1A1SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL27437666 0.96 SOAT1 (0.50) SOAT1TSHRALDH1A1SMN1; SMN2POLB
SCHEMBL2223429 0.85 TSHR (0.63) TSHRALDH1A1SMN1; SMN2POLBHTT
SCHEMBL3635136 0.85 TSHR (0.63) TSHRALDH1A1SMN1; SMN2POLBHTT
SCHEMBL8710504 0.83 ALDH1A1 (0.61) TSHRALDH1A1SMN1; SMN2POLBHTT
SCHEMBL675456 0.83 ALDH1A1 (0.61) TSHRALDH1A1SMN1; SMN2POLBHTT
Hydrochloric Acid SCHEMBL19031025 0.83 TSHR (0.61) TSHRALDH1A1SMN1; SMN2POLBHTT
SCHEMBL21138457 0.83 ALDH1A1 (0.61) TSHRALDH1A1SMN1; SMN2POLBHTT
SCHEMBL11488922 0.83 ALDH1A1 (0.61) TSHRALDH1A1SMN1; SMN2POLBHTT
SCHEMBL11402027 0.83 ALDH1A1 (0.61) TSHRALDH1A1SMN1; SMN2POLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113072542-B ROR gamma t inhibitor and preparation method and application thereof 广东东阳光药业股份有限公司 2024-04-05 CN disclosed
CN-113072542-A ROR gamma t inhibitor and preparation method and application thereof 广东东阳光药业有限公司 2021-07-06 CN disclosed