SCHEMBL28068879

SCHEMBL28068879

CCCCC(CCCC)NN

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
DNM1 Q05193 2/20 0.39
TSHR P16473 3/20 0.39
CYP3A4 P08684 1/20 0.39
OPRM1 P35372 1/20 0.38
DPP7 Q9UHL4 1/20 0.34
SLC15A1 P46059 1/20 0.34
PLA2G2C Q5R387 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
EPHX1 P07099 1/20 0.33
LMNA P02545 1/20 0.33
FDPS P14324 1/20 0.33

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
SCHEMBL22212766 0.95 CA1 (0.43) CA1CA2ALDH1A1TDP1DNM1
SCHEMBL25979188 0.89 OPRM1 (0.46) DNM1TSHRCYP3A4OPRM1EPHX1
SCHEMBL22930967 0.89
SCHEMBL25338916 0.89 OPRM1 (0.46) DNM1TSHRCYP3A4OPRM1EPHX1
SCHEMBL27331212 0.89
SCHEMBL17121623 0.87
SCHEMBL14530191 0.87 OPRM1 (0.44) CA1CA2DNM1TSHRCYP3A4
SCHEMBL12124043 0.85 OPRM1 (0.42) CA1CA2DNM1TSHRCYP3A4
SCHEMBL7344683 0.85 OPRM1 (0.42) CA1CA2DNM1TSHRCYP3A4
SCHEMBL22863802 0.84 CA1 (0.37) CA1CA2ALDH1A1TDP1DNM1

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
CN-105899579-B Daiamid composition 罗地亚经营管理公司 2019-05-21 CN disclosed
CN-105899579-A Polyamide composition 罗地亚经营管理公司 2016-08-24 CN disclosed