SCHEMBL29283308

SCHEMBL29283308

CC(C)(C)OC(=O)NCCOCCN1CCC[C@H]1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
ACE P12821 1/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
CACNA1H O95180 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LTA4H P09960 2/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL25030223 0.91 EPHX1 (0.41) EPHX1HRH3SMN1; SMN2MEN1KMT2A
SCHEMBL20545129 0.89 EPHX1 (0.46) EPHX1HRH3SMN1; SMN2ACEMEN1
SCHEMBL25030226 0.83 EPHX1 (0.41) EPHX1HRH3MEN1KMT2ACACNA1H
SCHEMBL16279606 0.81 TDP1 (0.48) EPHX1MEN1GAAKMT2ATDP1
SCHEMBL16279605 0.81 TDP1 (0.48) EPHX1MEN1GAAKMT2ATDP1
SCHEMBL8699456 0.81 SMN1; SMN2 (0.44) EPHX1SMN1; SMN2ACEMEN1GAA
SCHEMBL18851365 0.79 EPHX1 (0.46) EPHX1HRH3SMN1; SMN2MEN1GAA
SCHEMBL18851364 0.79 EPHX1 (0.46) EPHX1HRH3SMN1; SMN2MEN1GAA
SCHEMBL7131093 0.78 EPHX1 (0.45) EPHX1HRH3SMN1; SMN2MEN1GAA
SCHEMBL22151747 0.78 EPHX1 (0.45) EPHX1SMN1; SMN2MEN1GAAKMT2A

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
CN-118103074-A Cytotoxic targeting chimeras for CCR2 expressing cells 葛兰素史克知识产权发展有限公司 2024-05-28 CN disclosed