SCHEMBL30103403

SCHEMBL30103403

COC(=O)CCOC1CC(OCCC(=O)OC(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
EPHX2 P34913 3/20 0.38
CA12 O43570 4/20 0.34
CA14 Q9ULX7 4/20 0.34
CA2 P00918 3/20 0.34
DGAT1 O75907 1/20 0.32
MLYCD O95822 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA1 P00915 1/20 0.31
STING1 Q86WV6 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
RECQL P46063 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
NR1H2 P55055 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
SCHEMBL14343054 0.93 EPHX2 (0.38) EPHX2MLYCDSTING1NR1H2
SCHEMBL30103387 0.85 CHRM2 (0.40) EPHX2MLYCDNR1H2
SCHEMBL30103398 0.84 EPHX2 (0.31) EPHX2
SCHEMBL23696855 0.83 BTK (0.43) TSHREPHX2CA12CA14CA2
SCHEMBL21996967 0.83 BTK (0.43) TSHREPHX2CA12CA14CA2
SCHEMBL26351173 0.82 EPHX2 (0.35) EPHX2NR1H2
SCHEMBL29868442 0.81 TSHR (0.48) TSHREPHX2CA12CA14CA2
SCHEMBL26880031 0.81 TSHR (0.43) TSHREPHX2CA12CA14CA2
SCHEMBL26880038 0.81 TSHR (0.48) TSHREPHX2CA12CA14CA2
SCHEMBL14533784 0.79 NAAA (0.38) EPHX2

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
EP-4097138-A1 ASGPR-BINDING COMPOUNDS FOR THE DEGRADATION OF EXTRACELLULAR PROTEINS Avila Therapeutics, Inc. (US) 2022-12-07 EP disclosed