SCHEMBL7980822

SCHEMBL7980822

CC[Si](CC)(CC)O[C@H](CI)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.47
CTSV O60911 4/20 0.46
CTSL P07711 4/20 0.46
POLB P06746 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
ABCB1 P08183 1/20 0.42
PIN1 Q13526 2/20 0.40
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP19A1 P11511 2/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL7106505 1.00 FFAR1 (0.47) FFAR1CTSVCTSLPOLBMEN1
SCHEMBL7106508 1.00 FFAR1 (0.47) FFAR1CTSVCTSLPOLBMEN1
SCHEMBL12474159 0.78 POLB (0.54) FFAR1CTSVCTSLPOLBMEN1
SCHEMBL7111039 0.78 LRRK2 (0.39) CYP19A1
SCHEMBL5483348 0.78 CYP19A1 (0.44) CYP19A1
SCHEMBL6479480 0.78 CYP19A1 (0.44) CYP19A1
SCHEMBL4817546 0.78 CYP19A1 (0.44) CYP19A1
SCHEMBL10554925 0.76 CTSV (0.54) FFAR1CTSVCTSLPOLBMEN1
SCHEMBL27481727 0.76 CTSV (0.54) FFAR1CTSVCTSLPOLBMEN1
SCHEMBL24061314 0.76 POLB (0.54) FFAR1CTSVCTSLPOLBMEN1

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
US-6172099-B1 CARBAZOLE, DIBENZOFURAN, OR DIBENZOTHIOPHENE DERIVATIVES; DIETETICS, ANTIDIABETIC AGENTS; ANTILIPEMICS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2001-01-09 US disclosed
EP-0997458-A1 NOVEL TRICYCLIC COMPOUNDS HAVING SATURATED RINGS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2000-05-03 EP disclosed