SCHEMBL29869484

SCHEMBL29869484

CCC(CCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.71
MAPT P10636 2/20 0.59
KLK7 P49862 2/20 0.51
KLK5 Q9Y337 2/20 0.51
ATM Q13315 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SLC1A3 P43003 1/20 0.49
SLC1A1 P43005 1/20 0.49
CTSK P43235 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HTT P42858 1/20 0.48
CTSS P25774 2/20 0.47
PPARA Q07869 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
IDO1 P14902 1/20 0.46
CTRB1 P17538 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
SCHEMBL18123350 0.95 SYK (0.79) SYKMAPTKLK7KLK5ATM
SCHEMBL16286152 0.93 SYK (0.69) SYKMAPTKLK7KLK5ATM
Bicarbonate SCHEMBL5175781 0.91 MAPT (0.66) SYKMAPTKLK7KLK5HTT
SCHEMBL6620803 0.91 SYK (0.61) SYKMAPTKLK7KLK5ATM
SCHEMBL6619895 0.91 SYK (0.61) SYKMAPTKLK7KLK5ATM
SCHEMBL6620798 0.91 SYK (0.61) SYKMAPTKLK7KLK5ATM
SCHEMBL19295602 0.90 SYK (0.73) SYKMAPTKLK7KLK5ATM
SCHEMBL19295572 0.90 SYK (0.60) SYKMAPTKLK7KLK5ATM
SCHEMBL6372825 0.90 SYK (0.60) SYKMAPTKLK7KLK5ATM
SCHEMBL6372820 0.90 SYK (0.60) SYKMAPTKLK7KLK5ATM

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-115210237-B Dihydropyrimidine compound, preparation method and application thereof 上海维申医药有限公司 2023-11-14 CN disclosed
CN-114907355-A Dihydropyrimidine compound, preparation method and application thereof 上海维申医药有限公司 2022-08-16 CN disclosed