SCHEMBL18180872

SCHEMBL18180872

C=C1CC(O)C2C(OC(=O)C2N2CCCC2)C2C(C)C(=O)CC12

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CYP1A2 P05177 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
SCHEMBL18180874 0.99 — —
SCHEMBL10307511 0.82 MAPK1 (0.42) MAPK1LMNACYP1A2
SCHEMBL30174115 0.82 MAPK1 (0.42) MAPK1LMNACYP1A2
SCHEMBL18180881 0.74 MAPK1 (0.30) MAPK1LMNACYP1A2
SCHEMBL18180875 0.70 PTGIR (0.31) —
Grossheimin SCHEMBL1711489 0.70 MAPT (0.34) MAPK1
Grossheimin SCHEMBL1711493 0.70 MAPT (0.34) MAPK1
SCHEMBL10307515 0.65 — —
SCHEMBL22877988 0.63 MAPK1 (0.41) MAPK1LMNACYP1A2
SCHEMBL12459727 0.63 MAPK1 (0.41) MAPK1LMNACYP1A2

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-2016169573-A1 SESQUITERPENE LACTONES AS POTENT AND BROAD SPECTRUM ANTIVIRAL COMPOUNDS AGAINST ALL GENOTYPES OF HEPATITIS C VIRUS (HCV) ELSEBAI MAHMOUD FAHMI (EG) 2016-10-27 — — WO disclosed
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