SCHEMBL25504659

SCHEMBL25504659

CC(C)NC(CC(=O)OC(C)C)C(=O)OC(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.34
MAPT P10636 2/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
PRKCA P17252 1/20 0.32
NLRP3 Q96P20 1/20 0.31
NPR3 P17342 1/20 0.30
CYP2D6 P10635 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
SCHEMBL25475997 0.91 TSHR (0.33) LMNATSHRMAPT
SCHEMBL21633897 0.85 TSHR (0.33) LMNATSHRNPR3
SCHEMBL8581978 0.82 LMNA (0.37) LMNATSHRMAPTMMP1MMP2
SCHEMBL9159179 0.82 LMNA (0.37) LMNATSHRMAPTMMP1MMP2
SCHEMBL19764846 0.80 TSHR (0.36) LMNATSHRPRKCANPR3
SCHEMBL15071515 0.80 TSHR (0.36) LMNATSHRNPR3
SCHEMBL14113868 0.80 TSHR (0.36) LMNATSHRNPR3
SCHEMBL15071512 0.80 TSHR (0.36) LMNATSHRNPR3
SCHEMBL468693 0.79 ALDH1A1 (0.40) LMNATSHRMAPTMMP1MMP2
SCHEMBL25475988 0.79 LMNA (0.39) LMNATSHRMAPTMMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023078464-A1 EPSILON-POLY-L-LYSINE-BASED DRUG CONJUGATE, INTERMEDIATE THEREOF, AND APPLICATION THEREOF 上海弼领生物技术有限公司 2023-05-11 WO disclosed