SCHEMBL7742553

SCHEMBL7742553

O=C(NCCC(Cc1cccnc1)C(=O)NO)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.53
MAPK14 Q16539 2/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CYP3A4 P08684 1/20 0.49
HTT P42858 1/20 0.49
TP53 P04637 1/20 0.49
RECQL P46063 1/20 0.49
HPGD P15428 2/20 0.47
PTAFR P25105 1/20 0.47
NAMPT P43490 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
EPHX2 P34913 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MMP1 P03956 1/20 0.46
GPR132 Q9UNW8 1/20 0.46

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
SCHEMBL7742604 0.90 PPARG (0.56) MMP13MAPK14LMNASMN1; SMN2CYP3A4
SCHEMBL7741169 0.89 MAPK14 (0.61) MMP13MAPK14LMNASMN1; SMN2CYP3A4
SCHEMBL7735088 0.82 MMP13 (0.55) MMP13MAPK14RAB9AHPGDEPHX2
SCHEMBL13103503 0.82 MMP13 (0.55) MMP13MAPK14RAB9AHPGDEPHX2
SCHEMBL7741110 0.82 GPR132 (0.49) MMP13SMN1; SMN2NPC1RAB9ATP53
SCHEMBL7742557 0.82 MAPK14 (0.61) MMP13MAPK14LMNASMN1; SMN2NPC1
SCHEMBL7734878 0.82 PPARG (0.50) MMP13MAPK14SMN1; SMN2HPGDEPHX2
SCHEMBL8739011 0.81 RAB9A (0.66) MMP13MAPK14LMNASMN1; SMN2NPC1
SCHEMBL7741086 0.78 MAPK14 (0.47) MMP13MAPK14LMNASMN1; SMN2CYP3A4
SCHEMBL11632041 0.78 MMP13 (0.81) MMP13MAPK14LMNASMN1; SMN2NPC1

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