SCHEMBL6197866

SCHEMBL6197866

[CH]=Cc1cccc(OCCC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
TLR4 O00206 1/20 0.50
TLR2 O60603 1/20 0.50
TSHR P16473 2/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 5/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
GPBAR1 Q8TDU6 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
FURIN P09958 1/20 0.42
POLB P06746 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 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
SCHEMBL6200277 0.88 TSHR (0.59) KMT2ATLR4TLR2TSHRGPBAR1
SCHEMBL694325 0.85 KDM4E (0.57) KMT2ATLR4TLR2KDM4EALDH1A1
SCHEMBL59487 0.84 KMT2A (0.51) KMT2ATLR4TLR2TSHRKDM4E
SCHEMBL910596 0.82 MAOA (0.58) KMT2ATLR4TLR2TSHRKDM4E
SCHEMBL29955687 0.82 MAOA (0.58) KMT2ATLR4TLR2TSHRKDM4E
SCHEMBL16958381 0.82 KMT2A (0.54) KMT2ATLR4TLR2TSHRKDM4E
SCHEMBL9172200 0.82 KMT2A (0.50) KMT2ATLR4TLR2TSHRKDM4E
SCHEMBL412110 0.82 KMT2A (0.50) KMT2ATLR4TLR2TSHRKDM4E
SCHEMBL7541618 0.81 LCK (0.58) KMT2ATLR4TLR2KDM4EALDH1A1
SCHEMBL5253623 0.81 KMT2A (0.53) KMT2ATLR4TLR2TSHRKDM4E

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-1130017-B1 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMA CO LTD (JP) 2005-06-15 EP claimed
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-5677319-A THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 US 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