SCHEMBL18180933

SCHEMBL18180933

C=C1CC(OC(=O)c2ccccc2)C2C(OC(=O)C2(O)COC(=O)c2ccccc2)C2C(C)C(=N)CC12

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 11/20 0.36
▸ UBE2D3 P61077 2/20 0.34
▸ BCHE P06276 3/20 0.32
▸ TRPM8 Q7Z2W7 1/20 0.32
▸ NLRP3 Q96P20 1/20 0.31
▸ CES2 O00748 1/20 0.31

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
SCHEMBL18180916 0.80 UBE2D3 (0.36) ABCB1UBE2D3BCHENLRP3
SCHEMBL18180869 0.64 UBE2D3 (0.43) UBE2D3BCHENLRP3
SCHEMBL18180873 0.61 UBE2D3 (0.41) UBE2D3NLRP3
SCHEMBL10307515 0.60 — —
SCHEMBL38654945 0.59 LMNA (0.49) —
SCHEMBL26290154 0.59 ABCB1 (0.46) ABCB1BCHE
SCHEMBL8183692 0.58 GAA (0.58) ABCB1BCHE
SCHEMBL21082485 0.58 GAA (0.45) ABCB1BCHE
SCHEMBL16311866 0.58 CHRM2 (0.56) BCHE
SCHEMBL12452534 0.57 ALDH1A1 (0.47) —

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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