SCHEMBL6198545

SCHEMBL6198545

COc1ccc(C(=O)NCC(=O)c2ccc3c(c2)CCC(=O)N3)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.55
PGR P06401 1/20 0.55
SLC6A4 P31645 1/20 0.55
KCNH2 Q12809 1/20 0.55
PDE3B Q13370 1/20 0.55
PDE3A Q14432 1/20 0.55
LMNA P02545 1/20 0.55
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
CRBN Q96SW2 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
TP53 P04637 1/20 0.47
SMYD3 Q9H7B4 1/20 0.47

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
SCHEMBL6201709 0.83 TSHR (0.67) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL11042336 0.78 NR3C1 (0.84) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL7341633 0.78 NR3C1 (0.72) NR3C1PGRSLC6A4KCNH2PDE3B
Hydrochloric Acid SCHEMBL11698428 0.76 KMT2A (0.49) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL31718432 0.76 NR3C1 (0.59) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL23084652 0.74 SMYD3 (0.58) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL5460664 0.74 CRBN (0.53) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL6646602 0.74 CRBN (0.76) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL6996191 0.73 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL11768935 0.72 SMYD3 (0.56) HDAC3HDAC4HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1130017-B1 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMA CO LTD (JP) 2005-06-15 EP disclosed
EP-0934937-B1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMA CO LTD (JP) 2002-02-27 EP disclosed
US-RE37556-E1 (ALKOXYPHENYL)THIAZOLE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
EP-1130017-A2 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-09-05 EP disclosed
US-6080764-A PROTECTING VARIOUS TISSUE CELLS FROM DISTURBANCES ASSOCIATED WITH ISCHEMIA AND BLOOD REPERFUSION IN HEART, BRAIN, KIDNEY, LUNG AND DIGESTIVE TRACT BY INHIBITING SUPEROXIDE-RELEASE BY NEUTROPHILIC LEUKOCYTES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-06-27 US disclosed
EP-0513387-B1 THIAZOLE DERIVATIVES AS ACTIVE OXYGEN INHIBITORS OTSUKA PHARMA CO LTD (JP) 2000-03-01 EP disclosed
EP-0934937-A1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP disclosed
US-5643932-A PREVENTS CELL DAMAGE AFTER ISCHEMIA AND RE-PERFUSION, SUBSTITUTED THIAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP disclosed