SCHEMBL9804571

SCHEMBL9804571

CCc1c(Cc2ccccc2)c(O)c(Cc2ccccc2)c(CC)c1C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 4/20 0.35
HSD17B10 Q99714 3/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CETP P11597 1/20 0.35
EPHX2 P34913 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
KDM4E B2RXH2 2/20 0.34
CYP19A1 P11511 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL9804574 0.86 L3MBTL1 (0.33) L3MBTL1ALDH1A1MEN1KMT2ACETP
SCHEMBL31545835 0.76 NQO1 (0.38) L3MBTL1HSD17B10ALDH1A1KDM4EPOLB
SCHEMBL1499291 0.75 GABRA1 (0.38) HPGDHSD17B10USP2ALDH1A1MEN1
SCHEMBL10870748 0.74 KDM4E (0.43) HPGDHSD17B10ALDH1A1KDM4ELMNA
SCHEMBL4527677 0.73 GABRA1 (0.38) GABRA1GABRG2GABRB3CYP19A1
SCHEMBL31544863 0.72 IDH1 (0.49) HPGDALDH1A1EPHX2CNR1CNR2
SCHEMBL10870649 0.71 ESR1 (0.44) HPGDHSD17B10ALDH1A1KDM4ELMNA
SCHEMBL30768176 0.71 CALM1 (0.55) HPGDALDH1A1KDM4E
SCHEMBL5587236 0.71 CNR1 (0.36) CNR1CNR2
SCHEMBL9804756 0.70 LTA4H (0.43) HPGDHSD17B10ALDH1A1KDM4ELMNA

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
EP-0186255-B1 PROCESS FOR PREPARING BENZYL SUBSTITUTED PHENOLS, DIBENZYLPHENOLIC COMPOUNDS, AND THE ANTIOXIDANT USE OF SUCH PHENOLS ETHYL CORPORATION (US) 1991-04-10 EP disclosed