SCHEMBL19255575

SCHEMBL19255575

CC(=O)CCC(=O)CCCOCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.43
EPHX2 P34913 1/20 0.43
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TEAD3 Q99594 1/20 0.42
NAAA Q02083 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAOB P27338 1/20 0.40

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
SCHEMBL543078 0.90 ALDH1A1 (0.53) ALDH1A1L3MBTL1EPHX2TSHRTDP1
SCHEMBL9153257 0.88 EPHX2 (0.46) ALDH1A1L3MBTL1EPHX2TSHRTDP1
SCHEMBL17402500 0.85 EPHX2 (0.52) ALDH1A1L3MBTL1EPHX2TSHRTDP1
SCHEMBL15869131 0.84 TSHR (0.45) ALDH1A1L3MBTL1EPHX2TSHRTDP1
SCHEMBL18641735 0.84 EPHX2 (0.54) ALDH1A1L3MBTL1EPHX2TSHRTDP1
SCHEMBL27274906 0.84 EPHX2 (0.54) ALDH1A1L3MBTL1EPHX2TSHRTDP1
SCHEMBL3525287 0.84 EPHX2 (0.54) ALDH1A1L3MBTL1EPHX2TSHRTDP1
SCHEMBL25269510 0.83 EPHX2 (0.57) L3MBTL1EPHX2TSHRTDP1TEAD3
SCHEMBL19032713 0.83 EPHX2 (0.57) L3MBTL1EPHX2TSHRTDP1TEAD3
SCHEMBL10081325 0.83 EPHX2 (0.57) L3MBTL1EPHX2TSHRTDP1TEAD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017133670-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA SAVIRA PHARMACEUTICALS GMBH (AT) 2017-08-10 WO disclosed