SCHEMBL25514831

SCHEMBL25514831

CC(C)CC(C)(C(=O)OCC1CO1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MMP8 P22894 1/20 0.33
MGLL Q99685 2/20 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
SCHEMBL25781661 0.87 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1TP53CYP3A4
SCHEMBL21122937 0.84 LMNA (0.48) ALDH1A1TSHR
SCHEMBL12460558 0.82 CA2 (0.42) ALDH1A1
SCHEMBL9952415 0.80 ALDH1A1 (0.51) ALDH1A1TSHRMAPK1TP53CYP3A4
SCHEMBL12677756 0.80 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1TP53CYP3A4
SCHEMBL15980318 0.79 ALDH1A1 (0.34) ALDH1A1TSHRMAPK1TP53CYP3A4
SCHEMBL16215551 0.79 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1TP53CYP3A4
SCHEMBL12460564 0.78 PABPC1 (0.37) ALDH1A1
SCHEMBL25794309 0.78 MMP8 (0.31) MMP8
SCHEMBL22236424 0.78 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1TP53CYP3A4

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
EP-4253434-A1 SUBSTRATE, AND PREPARATION METHOD THEREFOR AND USE OF SUBSTRATE GeneMind Biosciences Company Limited (CN) 2023-10-04 EP disclosed
US-20230148217-A1 FILM INSERT MOLDED ARTICLE AND MANUFACTURING METHOD FOR FILM INSERT MOLDED ARTICLE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-05-11 US disclosed