SCHEMBL7741005

SCHEMBL7741005

CCOCOC[C@H](C[C@H](Cc1cccnc1)C(=O)NO)NC(=O)c1ccccc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP9 P14780 2/20 0.38
MMP8 P22894 2/20 0.38
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 2/20 0.35
ATM Q13315 1/20 0.35
ECE1 P42892 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
CYP3A4 P08684 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
P2RX7 Q99572 1/20 0.35
ADRB3 P13945 1/20 0.35
MMP1 P03956 1/20 0.34

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
SCHEMBL7741001 1.00 LMNA (0.38) LMNAPKMKMT2AMMP9MMP8
SCHEMBL7740451 0.87 MMP13 (0.43) LMNAPKMKMT2AMMP9MMP8
SCHEMBL7740453 0.87 MMP13 (0.43) LMNAPKMKMT2AMMP9MMP8
SCHEMBL7741294 0.85 KMT2A (0.41) LMNAPKMKMT2AMMP9MMP8
SCHEMBL7741296 0.85 KMT2A (0.41) LMNAPKMKMT2AMMP9MMP8
SCHEMBL7739867 0.85 LMNA (0.43) LMNAECE1KDM4E
SCHEMBL7739872 0.85 LMNA (0.43) LMNAECE1KDM4E
SCHEMBL7741080 0.84 GAA (0.48) LMNAKMT2AMMP9HTTALDH1A1
SCHEMBL7741077 0.84 GAA (0.48) LMNAKMT2AMMP9HTTALDH1A1
SCHEMBL7734685 0.82 SMN1; SMN2 (0.41) LMNAKMT2AHTTALDH1A1ATM

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