SCHEMBL28022696

SCHEMBL28022696

CCCCC(Cl)OC(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.35
OPRM1 P35372 1/20 0.33
ALDH1A1 P00352 3/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 2/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
TSHR P16473 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CYP3A4 P08684 1/20 0.30
FDPS P14324 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
SCHEMBL8380643 0.87 DNM1 (0.39) DNM1OPRM1ALDH1A1TDP1LMNA
SCHEMBL8381370 0.79 OPRM1 (0.42) DNM1OPRM1ALDH1A1LMNATSHR
SCHEMBL8381938 0.77 LMNA (0.42) DNM1OPRM1ALDH1A1LMNATSHR
SCHEMBL1683581 0.77 LMNA (0.42) DNM1OPRM1ALDH1A1LMNATSHR
SCHEMBL7854393 0.77 LMNA (0.42) DNM1OPRM1ALDH1A1LMNATSHR
SCHEMBL8378801 0.77 LMNA (0.42) DNM1OPRM1ALDH1A1LMNATSHR
SCHEMBL8381592 0.77 LMNA (0.42) DNM1OPRM1ALDH1A1LMNATSHR
SCHEMBL9339601 0.77 LMNA (0.42) DNM1OPRM1ALDH1A1LMNATSHR
SCHEMBL8379320 0.77 LMNA (0.42) DNM1OPRM1ALDH1A1LMNATSHR
SCHEMBL27462068 0.77 LMNA (0.42) DNM1OPRM1ALDH1A1LMNATSHR

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-104693211-A Imidazole derivative as antiviral agent and pharmaceutical application thereof NANJING MINGDE NEW DRUG RES AND DEV CO LTD 2015-06-10 CN disclosed