SCHEMBL7709191

SCHEMBL7709191

COC(=O)C(N)Cc1cccc(OCc2c(Cl)cccc2Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.49
ITGB1 P05556 1/20 0.44
ITGA4 P13612 1/20 0.44
SLC7A5 Q01650 2/20 0.43
EPOR P19235 1/20 0.43
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
NR1H4 Q96RI1 2/20 0.42
TAAR1 Q96RJ0 2/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL5719575 0.88 ITGA4 (0.55) LTA4HITGB1ITGA4
SCHEMBL6561273 0.88 ITGA4 (0.55) LTA4HITGB1ITGA4
Hydrochloric Acid SCHEMBL6509920 0.87 ITGA4 (0.54) LTA4HITGB1ITGA4
SCHEMBL26995245 0.82 LTA4H (0.49) LTA4HSLC7A5TAAR1ALDH1A1
SCHEMBL26985814 0.82 LTA4H (0.49) LTA4HSLC7A5TAAR1ALDH1A1
SCHEMBL2658540 0.81 TAAR1 (0.64) SLC7A5TAAR1ALDH1A1
SCHEMBL22458056 0.81 TAAR1 (0.64) SLC7A5TAAR1ALDH1A1
SCHEMBL1279049 0.81 TAAR1 (0.64) SLC7A5TAAR1ALDH1A1
SCHEMBL23387525 0.81 ITGA4 (0.48) LTA4HITGB1ITGA4ALDH1A1
SCHEMBL31070921 0.81 ITGA4 (0.48) LTA4HITGB1ITGA4ALDH1A1

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-6362204-B1 CONTROLLING IMMUNOLOGY; ANTIINFLAMMATORY AGENTS CELLTECH THERAPEUTICS, LTD (GB) 2002-03-26 US disclosed