SCHEMBL11041894

SCHEMBL11041894

O=C(OCC(Cl)(Cl)Cl)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.42
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
ASAH1 Q13510 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
SCN2A Q99250 1/20 0.37
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL31107466 0.81 CTRB1 (0.48) CTRB1ALDH1A1NPSR1CYP2C9MEN1
SCHEMBL74973 0.79 L3MBTL1 (0.55) CTRB1CA12CA9ALDH1A1L3MBTL1
SCHEMBL31241181 0.79 L3MBTL1 (0.55) CTRB1CA12CA9ALDH1A1L3MBTL1
SCHEMBL11045402 0.78 ALDH1A1 (0.42) CA12CA9ALDH1A1SMN1; SMN2NPSR1
SCHEMBL5086855 0.75 CTRB1 (0.70) CTRB1ALDH1A1SMN1; SMN2NPSR1L3MBTL1
Ethylene Glycol SCHEMBL8989789 0.75 L3MBTL1 (0.51) CTRB1CA12CA9ALDH1A1NPSR1
SCHEMBL8995177 0.75 ALDH1A1 (0.62) CTRB1ALDH1A1SMN1; SMN2L3MBTL1ASAH1
SCHEMBL10768629 0.73 NPSR1 (0.63) CTRB1CA12CA9ALDH1A1SMN1; SMN2
SCHEMBL19834306 0.73 NPC1 (0.50) CTRB1CA12CA9ALDH1A1SMN1; SMN2
SCHEMBL308281 0.72 CA12 (0.44) CTRB1CA12CA9ALDH1A1SMN1; SMN2

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-4431799-A 6'-Modified fortimicin compounds ABBOTT LABORATORIES (US) 1984-02-14 US disclosed