SCHEMBL8084010

SCHEMBL8084010

CCCCCCCCCCCOC(Br)C1(C)COC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.38
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LPAR1 Q92633 4/20 0.30
LPAR3 Q9UBY5 4/20 0.30
LPAR2 Q9HBW0 1/20 0.30
CDC25A P30304 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
SCHEMBL17474282 0.81 DNM1 (0.39) DNM1ALDH1A1TDP1LPAR1LPAR3
SCHEMBL18979333 0.74 TP53 (0.36)
SCHEMBL2872393 0.69 DNM1 (0.38) DNM1ALDH1A1TDP1LPAR1LPAR3
SCHEMBL8469032 0.68 DNM1 (0.52) DNM1LPAR1LPAR3LPAR2
SCHEMBL1096555 0.66 DNM1 (0.50) DNM1LPAR1LPAR3LPAR2
SCHEMBL9634343 0.66 DNM1 (0.50) DNM1LPAR1LPAR3LPAR2
SCHEMBL28005170 0.66 DNM1 (0.50) DNM1LPAR1LPAR3LPAR2
SCHEMBL8469784 0.66
SCHEMBL2623181 0.66 ALDH1A1 (0.43) ALDH1A1TDP1CDC25A
SCHEMBL2623185 0.66 ALDH1A1 (0.43) ALDH1A1TDP1CDC25A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1060226-A1 LIQUID CRYSTAL POLYMER DEVICES AND MATERIALS THE SECRETARY OF STATE FOR DEFENCE (GB) 2000-12-20 EP disclosed
WO-1999043763-A1 LIQUID CRYSTAL POLYMER DEVICES AND MATERIALS THE SECRETARY OF STATE FOR DEFENCE (GB) 1999-09-02 WO disclosed