SCHEMBL7742545

SCHEMBL7742545

COC(=O)C(CCC(=O)NO)NC(=O)c1ccc(C#CCCO)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
TAS1R3 Q7RTX0 3/20 0.39
TAS1R1 Q7RTX1 3/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
LNPEP Q9UIQ6 1/20 0.39

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
SCHEMBL7742548 1.00 L3MBTL1 (0.42) L3MBTL1ITGB1ITGA4TAS1R3TAS1R1
SCHEMBL7734720 0.91 ITGB1 (0.46) L3MBTL1ITGB1ITGA4TAS1R3TAS1R1
SCHEMBL7734718 0.91 ITGB1 (0.46) L3MBTL1ITGB1ITGA4TAS1R3TAS1R1
SCHEMBL7735052 0.79
SCHEMBL7735055 0.79
SCHEMBL7742586 0.76 POLB (0.40)
SCHEMBL7742579 0.76 POLB (0.40)
SCHEMBL4873894 0.76 GAA (0.52) L3MBTL1GAARAB9A
SCHEMBL7734853 0.76 HDAC1 (0.39)
SCHEMBL7734857 0.76 HDAC1 (0.39)

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-6420427-B1 PREVENTION AND/OR TREATMENT OF RHEUMATOID DISEASES, ARTHROSTEITIS, UNUSUAL BONE RESORPTION, OSTEOPOROSIS, PERIODONTITIS, INTERSTITIAL NEPHRITIS, ARTERIOSCLEROSIS, PULMONARY EMPHYSEMA, CIRRHOSIS, CORNEA INJURY ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP disclosed