SCHEMBL8868645

SCHEMBL8868645

O=C(O)C(CCCCCCCCCBr)CCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.51
CPB2 Q96IY4 2/20 0.49
FOLH1 Q04609 3/20 0.47
MMP2 P08253 2/20 0.46
MMP3 P08254 2/20 0.46
MMP1 P03956 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
CYP1A2 P05177 1/20 0.46
CPA1 P15085 1/20 0.44
TRPA1 O75762 1/20 0.43
LAP3 P28838 2/20 0.43
ERAP2 Q6P179 1/20 0.43
ERAP1 Q9NZ08 1/20 0.43

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
SCHEMBL8867961 1.00 GRIK1 (0.51) GRIK1CPB2FOLH1MMP2MMP3
SCHEMBL8867562 1.00 GRIK1 (0.51) GRIK1CPB2FOLH1MMP2MMP3
SCHEMBL8868315 0.92 GRIK1 (0.56) GRIK1CPB2FOLH1MMP2MMP3
SCHEMBL1862995 0.86 GRIK1 (0.61) GRIK1CPB2FOLH1MMP2MMP3
SCHEMBL6869749 0.85 FOLH1 (0.66) CPB2FOLH1CYP1A2CPA1
SCHEMBL1860416 0.84 GRIK1 (0.68) GRIK1CPB2FOLH1MMP2MMP3
SCHEMBL1857365 0.84 CYP1A2 (0.61) GRIK1CPB2FOLH1CYP1A2CPA1
SCHEMBL8905261 0.84 MMP2 (0.55) GRIK1CPB2MMP2MMP3
SCHEMBL8775151 0.84 MAPT (0.64) GRIK1CPB2FOLH1
SCHEMBL1716640 0.84 MMP2 (0.55) GRIK1CPB2MMP2MMP3

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
US-5599966-A SUITABLE FOR TREATMENT OF DISEASES OF RESPIRATORY PASSAGES BYK NEDERLAND BV (NL) 1997-02-04 US disclosed