SCHEMBL6380963

SCHEMBL6380963

CCC(OC(=O)COC=O)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32

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
SCHEMBL8682690 0.86 CHRM1 (0.36) MMP1MMP2MMP3MMP9MMP13
SCHEMBL15324112 0.82 MGAM (0.33)
SCHEMBL3367785 0.77 EPHX2 (0.32)
SCHEMBL6381127 0.77 MMP1 (0.37) MMP1MMP2MMP3MMP9MMP13
SCHEMBL28023347 0.76 SMN1; SMN2 (0.39) SMN1; SMN2MMP1MMP2MMP3MMP9
SCHEMBL18668989 0.76 ALDH1A1 (0.38) SMN1; SMN2
SCHEMBL6380955 0.74 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL7061052 0.74 LMNA (0.41) SMN1; SMN2MMP1MMP2MMP3MMP9
SCHEMBL1404146 0.74 KLK7 (0.38) SMN1; SMN2MMP1MMP2MMP3MMP9
SCHEMBL11908661 0.73

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906108-B1 ENDOTHELIN ANTAGONISTS FOR TREATING HEART FAILURE BANYU PHARMA CO LTD (JP) 2005-06-15 EP disclosed
US-6380195-B1 INCLUDING (METHYLENEDIOXYPHENYL)CYCLOPENTENO(1,2-B)PYRIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-04-30 US disclosed
EP-0714897-B1 FUSED HETEROAROMATIC CYCLOPENTENE DERIVATIVE HAVING ENDOTHELIN-ANTAGONIST ACTIVITY BANYU PHARMA CO LTD (JP) 2001-02-14 EP disclosed
EP-0906108-A4 METHOD OF TREATING HEART FAILURE WITH ENDOTHELIN ANTAGONISTS BANYU PHARMA CO LTD (JP) 2000-12-06 EP disclosed
US-6087360-A TREATING PATIENTS WITH ENDOTHELIN RELATED DISORDERS BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-07-11 US disclosed
EP-0906108-A1 METHOD OF TREATING HEART FAILURE WITH ENDOTHELIN ANTAGONISTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-04-07 EP disclosed
US-5834483-A Method of treating heart failure with endothelin antagonists MERCK & CO., INC. (US) 1998-11-10 US disclosed
US-5714479-A TREATMENT OF HYPERTENSION, ACUTE RENAL FAILURE, ANGINA PECTORIS, ARTERIOSCLEROSIS, ASTHMA, GASTRIC ULCER AND SIMILAR AILMENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-02-03 US disclosed
WO-1997037665-A1 METHOD OF TREATING HEART FAILURE WITH ENDOTHELIN ANTAGONISTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-10-16 WO disclosed
EP-0714897-A1 FUSED HETEROAROMATIC CYCLOPENTENE DERIVATIVE HAVING ENDOTHELIN-ANTAGONIST ACTIVITY BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-06-05 EP disclosed