SCHEMBL6201709

SCHEMBL6201709

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

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.67
MAPT P10636 2/20 0.67
NR3C1 P04150 1/20 0.57
PGR P06401 1/20 0.57
SLC6A4 P31645 1/20 0.57
KCNH2 Q12809 1/20 0.57
PDE3B Q13370 1/20 0.57
PDE3A Q14432 1/20 0.57
LMNA P02545 2/20 0.50
CRBN Q96SW2 1/20 0.50
HSD17B10 Q99714 2/20 0.49
RXFP1 Q9HBX9 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL6198545 0.83 NR3C1 (0.55) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL31718432 0.82 NR3C1 (0.59) MAPTNR3C1PGRSLC6A4KCNH2
Hydrochloric Acid SCHEMBL11043359 0.80 NR3C1 (0.67) TSHRMAPTNR3C1PGRSLC6A4
SCHEMBL11042336 0.80 NR3C1 (0.84) TSHRMAPTNR3C1PGRSLC6A4
SCHEMBL7294192 0.80 CRBN (0.56) CRBNHSD17B10L3MBTL1ALOX15HTT
SCHEMBL7341633 0.79 NR3C1 (0.72) TSHRMAPTNR3C1PGRSLC6A4
SCHEMBL6646602 0.78 CRBN (0.76) MAPTNR3C1PGRSLC6A4KCNH2
Hydrochloric Acid SCHEMBL11698428 0.76 KMT2A (0.49) MAPTNR3C1PGRSLC6A4KCNH2
SCHEMBL5460664 0.75 CRBN (0.53) MAPTCRBNRXFP1L3MBTL1RAB9A
SCHEMBL17703533 0.74 MAPT (0.83) TSHRMAPTLMNAHSD17B10RXFP1

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 8 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-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