SCHEMBL30726716

SCHEMBL30726716

COc1c(C(C)C)cc2c(=O)cc3c(cc2c1OC)C=CC(OC(=O)CN1CCOCC1)C3(C)C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.32
▸ MEN1 O00255 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ PKM P14618 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
SCHEMBL30726676 0.82 — —
SCHEMBL30726706 0.79 — —
SCHEMBL30726742 0.75 — —
SCHEMBL30726710 0.75 — —
SCHEMBL30726698 0.74 TSHR (0.31) TSHR
SCHEMBL30726772 0.67 — —
SCHEMBL30627438 0.66 — —
SCHEMBL30627437 0.66 — —
SCHEMBL30726727 0.62 — —
SCHEMBL29378942 0.60 — —

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
WO-2023207921-A1 TAXAMAIRIN ANALOGS AND METHODS OF PREPARATION AND USE THEREOF HONG KONG BAPTIST UNIVERSITY (CN) 2023-11-02 — — WO disclosed
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