SCHEMBL7740867

SCHEMBL7740867

COCOCC(CC(C)C(=O)NO)NC(=O)c1ccc(-c2ccc(OC)cc2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
LMNA P02545 1/20 0.47
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
MAP4K4 O95819 1/20 0.41
PRKACA P17612 1/20 0.41
GRK5 P34947 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CDK8 P49336 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
RPS6KA3 P51812 1/20 0.41
PRKX P51817 1/20 0.41

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
SCHEMBL7740873 1.00 KDM4E (0.49) KDM4ESMN1; SMN2NPC1ALDH1A1GLA
SCHEMBL7740362 0.82 MMP2 (0.59) ALDH1A1MMP2MMP9MMP12MMP3
SCHEMBL7740363 0.82 MMP2 (0.59) ALDH1A1MMP2MMP9MMP12MMP3
SCHEMBL7735094 0.80 MMP2 (0.62) LMNAMMP2MMP9MMP12ANPEP
SCHEMBL7735099 0.80 MMP2 (0.62) LMNAMMP2MMP9MMP12ANPEP
SCHEMBL7741283 0.76 MMP2 (0.51) GAAHPGDMMP2MMP9MMP12
SCHEMBL7741290 0.76 MMP2 (0.51) GAAHPGDMMP2MMP9MMP12
SCHEMBL7741359 0.76 MMP2 (0.61) MMP2MMP9MMP12MMP13ANPEP
SCHEMBL7741354 0.76 MMP2 (0.61) MMP2MMP9MMP12MMP13ANPEP
SCHEMBL399468 0.75 KDM4E (0.60) KDM4ESMN1; SMN2NPC1ALDH1A1GLA

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