SCHEMBL8618935

SCHEMBL8618935

COCOC(C)c1ccc(CC2(c3ccccc3)OCCO2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
TACR1 P25103 1/20 0.30

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
SCHEMBL8617290 0.78 ICMT (0.31) TACR1
SCHEMBL14778250 0.74 TSHR (0.46) L3MBTL1TSHRMAPK1SMN1; SMN2
SCHEMBL4463625 0.72 CYP19A1 (0.41) TSHRMAPK1SMN1; SMN2KDM4ECYP1A2
SCHEMBL14778741 0.68 TSHR (0.41) L3MBTL1TSHRMAPK1SMN1; SMN2
SCHEMBL14779003 0.68 TSHR (0.41) L3MBTL1TSHRMAPK1SMN1; SMN2
SCHEMBL12197925 0.65 L3MBTL1 (0.44) L3MBTL1TSHRMAPK1SMN1; SMN2KDM4E
SCHEMBL4611158 0.65 OPRM1 (0.33) SMN1; SMN2ALDH1A1TACR1
SCHEMBL9227296 0.65
SCHEMBL2286730 0.65 KDM1A (0.42) L3MBTL1TSHRMAPK1SMN1; SMN2KDM4E
SCHEMBL11981415 0.64 ACACB (0.37) MEN1ALDH1A1KMT2A

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
US-5719303-A USEFUL FOR MEDICALLY TREATING HYPERLIPEMIA EISAI CO., LTD. (JP) 1998-02-17 US disclosed