SCHEMBL9716887

SCHEMBL9716887

CC(CC1=C([Zr]C2=C(CC(C)c3ccccc3)C=CC2)CC=C1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.39
MAOA P21397 3/20 0.39
MAOB P27338 3/20 0.39
NISCH Q9Y2I1 3/20 0.39
AOC3 Q16853 2/20 0.36
TRPA1 O75762 3/20 0.35
RIPK1 Q13546 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.33
GFER P55789 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
P2RX7 Q99572 2/20 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
Hydrochloric Acid SCHEMBL7943641 0.98 TAAR1 (0.39) TAAR1MAOAMAOBNISCHAOC3
SCHEMBL8164295 0.80 TAAR1 (0.41) TAAR1MAOAMAOBNISCHAOC3
SCHEMBL8166923 0.78 SIGMAR1 (0.35) TAAR1MAOAAOC3KDM4E
SCHEMBL816105 0.77
Bromide SCHEMBL7788045 0.76 MAOA (0.38) TAAR1MAOAMAOBNISCHAOC3
Hydrochloric Acid SCHEMBL7943638 0.76 MAOA (0.41) TAAR1MAOAMAOBNISCHAOC3
Iodide SCHEMBL7061512 0.75
Bromide SCHEMBL7057668 0.75
Hydrochloric Acid SCHEMBL1073666 0.75
Fluoride SCHEMBL1130484 0.75

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
EP-0513157-A1 FUEL OIL COMPOSITIONS AND ADDITIVES EXXON CHEMICAL PATENTS INC. (US) 1992-11-19 EP disclosed