SCHEMBL7141592

SCHEMBL7141592

CCC1CC(C#CC(=O)O)CCN1Cc1ccc2c(c1)Nc1nccnc1S2

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 20/20 0.56
VCAM1 P19320 1/20 0.49

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
SCHEMBL6752097 0.84 ICAM1 (0.74) ICAM1
SCHEMBL7148805 0.77 ICAM1 (0.63) ICAM1VCAM1
SCHEMBL7141589 0.77 ICAM1 (0.65) ICAM1
SCHEMBL7144353 0.73 ICAM1 (0.57) ICAM1VCAM1
SCHEMBL6747406 0.70 ICAM1 (0.71) ICAM1VCAM1
SCHEMBL7147254 0.69 ICAM1 (0.73) ICAM1
SCHEMBL8322393 0.69 ICAM1 (1.00) ICAM1
SCHEMBL6750455 0.69 ICAM1 (0.68) ICAM1VCAM1
SCHEMBL6747234 0.69 ICAM1 (0.63) ICAM1VCAM1
SCHEMBL7145260 0.68 ICAM1 (0.74) ICAM1VCAM1

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-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 US disclosed