SCHEMBL25208564

SCHEMBL25208564

COC(=O)c1c(C)c(C(=O)OC)c(C(=O)O)c(C)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
KDM4E B2RXH2 2/20 0.42
CYP3A4 P08684 2/20 0.41
ACHE P22303 1/20 0.41
HPGD P15428 3/20 0.40
GRM6 O15303 1/20 0.40
GRM5 P41594 1/20 0.40
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL28852177 1.00 LMNA (0.47) LMNAALDH1A1MEN1KMT2ANPSR1
SCHEMBL7167668 0.95 LMNA (0.44) LMNAALDH1A1MEN1KMT2ANPSR1
SCHEMBL29086895 0.95 LMNA (0.44) LMNAALDH1A1MEN1KMT2ANPSR1
SCHEMBL27627739 0.91 LMNA (0.44) LMNAALDH1A1MEN1KMT2ANPSR1
SCHEMBL25475535 0.87 LMNA (0.42) LMNAALDH1A1MEN1KMT2ANPSR1
SCHEMBL27969364 0.82 LMNA (0.42) LMNAALDH1A1MEN1KMT2ANPSR1
SCHEMBL11271566 0.82 ALDH1A1 (0.38) LMNAALDH1A1MEN1KMT2ANPSR1
SCHEMBL973742 0.82 MEN1 (0.59) LMNAALDH1A1MEN1KMT2ACA12
SCHEMBL25377022 0.81 CA12 (0.48) LMNAALDH1A1MEN1KMT2ANPSR1
SCHEMBL25381186 0.81 CA12 (0.48) LMNAALDH1A1MEN1KMT2ANPSR1

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
WO-2023120638-A1 MAIN CHAIN POLYMER, OPTICAL FILM, METHOD FOR PRODUCING MAIN CHAIN POLYMER, METHOD FOR PRODUCING OPTICAL FILM, AND MULTILAYER FILM 東ソー株式会社 2023-06-29 WO disclosed
WO-2023088407-A1 METHOD FOR PREPARING REVERSE OSMOSIS MEMBRANE FOR SEAWATER DESALINATION AND REVERSE OSMOSIS MEMBRANE PREPARED THEREFROM 沃顿科技股份有限公司 2023-05-25 WO disclosed