SCHEMBL9150244

SCHEMBL9150244

CC(=O)CC(=O)CCCCOCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 1/20 0.44
FAAH O00519 1/20 0.44
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.43
NAAA Q02083 1/20 0.43
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
TEAD3 Q99594 1/20 0.41
TSHR P16473 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
SCHEMBL9153257 0.95 EPHX2 (0.46) EPHX2L3MBTL1ALDH1A1TDP1HTT
SCHEMBL9152709 0.89 ALDH1A1 (0.49) EPHX2ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL17402500 0.87 EPHX2 (0.52) EPHX2L3MBTL1ALDH1A1TDP1FAAH
SCHEMBL14949713 0.86 ALDH1A1 (0.46) EPHX2ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL3525287 0.86 EPHX2 (0.54) EPHX2L3MBTL1ALDH1A1TDP1FAAH
SCHEMBL18641735 0.86 EPHX2 (0.54) EPHX2L3MBTL1ALDH1A1TDP1FAAH
SCHEMBL27274906 0.86 EPHX2 (0.54) EPHX2L3MBTL1ALDH1A1TDP1FAAH
SCHEMBL25269510 0.85 EPHX2 (0.57) EPHX2L3MBTL1TDP1FAAHHTT
SCHEMBL19032713 0.85 EPHX2 (0.57) EPHX2L3MBTL1TDP1FAAHHTT
SCHEMBL10081325 0.85 EPHX2 (0.57) EPHX2L3MBTL1TDP1FAAHHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5389659-A Hypotensive agents GLAXO GROUP LIMITED (GB) 1995-02-14 US disclosed
WO-1993005025-A1 C-LINKED PYRAZOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 1993-03-18 WO disclosed
EP-0446062-A1 C-Linked pyrazole derivatives GLAXO GROUP LIMITED (GB) 1991-09-11 EP disclosed