SCHEMBL30174115

SCHEMBL30174115

C=C1C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2[C@H](C)C(=O)C[C@@H]12

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ ATM Q13315 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
SCHEMBL10307511 1.00 MAPK1 (0.42) MAPK1LMNACYP1A2ATM
SCHEMBL18180881 0.82 MAPK1 (0.30) MAPK1LMNACYP1A2
SCHEMBL18180872 0.82 MAPK1 (0.30) MAPK1LMNACYP1A2
SCHEMBL10307521 0.82 MAPK1 (0.41) MAPK1LMNACYP1A2
SCHEMBL18180874 0.81 — —
SCHEMBL18180875 0.78 PTGIR (0.31) —
SCHEMBL22877988 0.78 MAPK1 (0.41) MAPK1LMNACYP1A2
SCHEMBL12459727 0.78 MAPK1 (0.41) MAPK1LMNACYP1A2
Grossheimin SCHEMBL1711489 0.78 MAPT (0.34) MAPK1ATM
Grossheimin SCHEMBL1711493 0.78 MAPT (0.34) MAPK1ATM

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-115561325-A Method for measuring concentration of body resistance strengthening and blood stasis removing preparation maosolide and schizandrol A in tissue 上海黄海制药有限责任公司 2023-01-03 — — CN disclosed
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