SCHEMBL28575875

SCHEMBL28575875

CCC(C(=O)Cl)(C(=O)OC(C)C)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.33
LMNA P02545 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
SCHEMBL28554127 0.82 TSHR (0.39) MEN1KMT2ATSHRLMNA
SCHEMBL27551653 0.81 TSHR (0.38) MEN1KMT2ATSHRLMNA
SCHEMBL17617145 0.78 TSHR (0.40) MEN1KMT2ATSHRLMNA
SCHEMBL17617197 0.78 TSHR (0.40) MEN1KMT2ATSHRLMNA
Diethylamine SCHEMBL27840041 0.74 TSHR (0.32) TSHR
SCHEMBL234924 0.74 TSHR (0.37) MEN1KMT2ATSHRLMNA
SCHEMBL27836853 0.73 LMNA (0.44) MEN1KMT2ATSHRLMNA
SCHEMBL27836865 0.72 LMNA (0.47) MEN1KMT2ALMNA
SCHEMBL17617111 0.71 TSHR (0.39) MEN1KMT2ATSHRLMNA
SCHEMBL234971 0.71 TSHR (0.34) MEN1KMT2ATSHR

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-112851494-A Preparation method of 1-pyrenebutyric acid 苏州昊帆生物股份有限公司 2021-05-28 CN claimed
CN-112851494-B Preparation method of 1-pyrene butyric acid 苏州昊帆生物股份有限公司 2023-08-15 CN disclosed
CN-112851494-A Preparation method of 1-pyrenebutyric acid 苏州昊帆生物股份有限公司 2021-05-28 CN disclosed