SCHEMBL7734718

SCHEMBL7734718

COC(=O)C(CCC(=O)O)NC(=O)c1ccc(C#CCCO)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.46
ITGA4 P13612 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
CA2 P00918 2/20 0.43
CA1 P00915 1/20 0.43
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ADAMTS4 O75173 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
MMP2 P08253 2/20 0.40
MMP12 P39900 2/20 0.40

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
SCHEMBL7734720 1.00 ITGB1 (0.46) ITGB1ITGA4L3MBTL1CA2CA1
SCHEMBL7742548 0.91 L3MBTL1 (0.42) ITGB1ITGA4L3MBTL1GAARAB9A
SCHEMBL7742545 0.91 L3MBTL1 (0.42) ITGB1ITGA4L3MBTL1GAARAB9A
SCHEMBL4873894 0.80 GAA (0.52) L3MBTL1GAARAB9A
SCHEMBL12158277 0.79 LMNA (0.61) L3MBTL1CA2CA1GAARAB9A
SCHEMBL16840374 0.76 ITGB1 (0.40) ITGB1ITGA4L3MBTL1CA2LMNA
SCHEMBL20299887 0.73 TAS1R3 (0.45) L3MBTL1CA2CA1GAARAB9A
SCHEMBL28940166 0.73 TAS1R3 (0.45) L3MBTL1CA2CA1GAARAB9A
SCHEMBL15235709 0.72 TAS1R3 (0.44) L3MBTL1GAARAB9ATAS1R3TAS1R1
SCHEMBL9045259 0.72 L3MBTL1 (0.48) L3MBTL1CA2CA1GAARAB9A

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