SCHEMBL8848925

SCHEMBL8848925

O=C(O)CC1C/C=C/C/C=C\C/C=C/CCCCCN1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
MITF O75030 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NLRP1 Q9C000 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRR1 P24046 1/20 0.33
SLC6A1 P30531 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRB2 P47870 1/20 0.33
SLC6A12 P48065 1/20 0.33
SLC6A11 P48066 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
SCHEMBL8848772 1.00 MEN1 (0.33) MEN1MITFLMNATP53CYP3A4
SCHEMBL8848932 1.00 MEN1 (0.33) MEN1MITFLMNATP53CYP3A4
SCHEMBL8848775 1.00 MEN1 (0.33) MEN1MITFLMNATP53CYP3A4
SCHEMBL8848930 1.00 MEN1 (0.33) MEN1MITFLMNATP53CYP3A4
SCHEMBL8856303 0.88 MEN1 (0.35) MEN1MITFLMNATP53CYP3A4
SCHEMBL8856307 0.88 MEN1 (0.35) MEN1MITFLMNATP53CYP3A4
SCHEMBL8856300 0.88 MEN1 (0.35) MEN1MITFLMNATP53CYP3A4
SCHEMBL8856552 0.86 FDPS (0.34) MEN1MITFLMNATP53CYP3A4
SCHEMBL8856555 0.86 FDPS (0.34) MEN1MITFLMNATP53CYP3A4
SCHEMBL8856548 0.86 FDPS (0.34) MEN1MITFLMNATP53CYP3A4

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
EP-0652749-A4 METHODS AND COMPOSITIONS FOR INHIBITING 5-g(a)-REDUCTASE ACTIVITY. ARCH DEV CORP (US) 1997-04-09 EP disclosed
EP-0652749-A1 METHODS AND COMPOSITIONS FOR INHIBITING 5$g(a)-REDUCTASE ACTIVITY ARCH DEVELOPMENT CORPORATION (US) 1995-05-17 EP disclosed
WO-1994001100-A1 METHODS AND COMPOSITIONS FOR INHIBITING 5α-REDUCTASE ACTIVITY ARCH DEVELOPMENT CORPORATION (US) 1994-01-20 WO disclosed