SCHEMBL7957906

SCHEMBL7957906

CCOC(=O)C1C2CCC(C2)C1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 17/20 0.76
ITGA4 P13612 17/20 0.76
ITGB7 P26010 1/20 0.76
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HCRTR1 O43613 2/20 0.46
HCRTR2 O43614 2/20 0.46

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
SCHEMBL7957800 0.86 ITGB1 (1.00) ITGB1ITGA4ITGB7HCRTR1HCRTR2
SCHEMBL7967513 0.85 ITGB1 (0.81) ITGB1ITGA4ITGB7HCRTR1HCRTR2
SCHEMBL7967453 0.83 ITGB1 (0.74) ITGB1ITGA4ITGB7MEN1KMT2A
SCHEMBL7357321 0.81 ITGB1 (1.00) ITGB1ITGA4ITGB7HCRTR1HCRTR2
SCHEMBL7970416 0.79 ITGB1 (0.48) ITGB1ITGA4ITGB7
SCHEMBL7970886 0.74 ITGB1 (1.00) ITGB1ITGA4ITGB7HCRTR1HCRTR2
SCHEMBL29575786 0.74 ITGB1 (0.65) ITGB1ITGA4ITGB7HCRTR1HCRTR2
SCHEMBL3901904 0.74 ITGB1 (0.59) ITGB1ITGA4ITGB7HCRTR1HCRTR2
SCHEMBL3901901 0.74 ITGB1 (0.59) ITGB1ITGA4ITGB7HCRTR1HCRTR2
SCHEMBL7355597 0.72 ITGB1 (0.74) ITGB1ITGA4ITGB7HCRTR1HCRTR2

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-6271252-B1 ASTHMA THERAPY, ANTIALLERGENS, ANTIINFLAMMATORY AGENTS,MULTIPLE SCLEROSIS, AUTOIMMUNE DISEASES MERCK & CO., INC. 2001-08-07 US disclosed