SCHEMBL28448348

SCHEMBL28448348

C[CH]C(C=CCCC)C=C(C)C

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
KMT2A Q03164 1/20 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
SCHEMBL7804858 0.72 MEN1 (0.32) MEN1CYP3A4KMT2A
SCHEMBL27794223 0.67 TSHR (0.30)
SCHEMBL27431406 0.65 MEN1 (0.33) MEN1CYP3A4KMT2A
SCHEMBL164211 0.64
SCHEMBL3650937 0.62
SCHEMBL3650934 0.62
SCHEMBL31552443 0.62
SCHEMBL21154496 0.62 MEN1 (0.32) MEN1CYP3A4KMT2A
SCHEMBL6325365 0.62 MEN1 (0.34) MEN1CYP3A4KMT2A
SCHEMBL6325367 0.62 MEN1 (0.34) MEN1CYP3A4KMT2A

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-106132970-B Borate esters and pharmaceutical formulations thereof 俄亥俄州创新基金会 2020-09-04 CN disclosed