SCHEMBL7735312

SCHEMBL7735312

CCCCCC#Cc1ccc(C(=O)NC(COCOC)CC(Cc2cccnc2)C(=O)NO)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.39
ACACB O00763 4/20 0.38
TRPV1 Q8NER1 4/20 0.37
TSHR P16473 1/20 0.35
GPR132 Q9UNW8 1/20 0.34
PTAFR P25105 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
LPAR1 Q92633 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
MMP2 P08253 1/20 0.33
MMP12 P39900 1/20 0.33

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
SCHEMBL7735314 1.00 PLG (0.39) PLGACACBTRPV1TSHRGPR132
SCHEMBL7742780 0.88 ACACB (0.42) ACACBGPR132LMNA
SCHEMBL7742779 0.88 ACACB (0.42) ACACBGPR132LMNA
SCHEMBL7741004 0.82 MMP2 (0.43) ITGB1ITGA4MMP2MMP12
SCHEMBL7741002 0.82 MMP2 (0.43) ITGB1ITGA4MMP2MMP12
SCHEMBL7741125 0.81 MMP9 (0.48) GPR132PTAFRMMP2MMP12
SCHEMBL7741123 0.81 MMP9 (0.48) GPR132PTAFRMMP2MMP12
SCHEMBL7739555 0.81 ITGB1 (0.35) ACACBITGB1ITGA4MMP2MMP12
SCHEMBL7739557 0.81 ITGB1 (0.35) ACACBITGB1ITGA4MMP2MMP12
SCHEMBL7740988 0.80 KMT2A (0.39) GPR132LMNA

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 4 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 claimed
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP claimed
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