SCHEMBL13652844

SCHEMBL13652844

CC(C)(C)CC(C)(C)c1ccc(-n2n3c4ccccc4n23)c(O)c1C(C)(C)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ SHBG P04278 1/20 0.32

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
SCHEMBL13652823 0.81 ESR1 (0.36) ALDH1A1ESR1CYP3A4ESR2SHBG
SCHEMBL2612597 0.79 SHBG (0.36) ALDH1A1ESR1CYP3A4ESR2SHBG
SCHEMBL13652820 0.73 ESR1 (0.35) ALDH1A1ESR1CYP3A4ESR2
SCHEMBL13652818 0.73 ESR1 (0.40) ALDH1A1ESR1CYP3A4ESR2
SCHEMBL13652821 0.73 ESR1 (0.37) ALDH1A1ESR1CYP3A4ESR2
SCHEMBL13652839 0.71 CYP3A4 (0.34) ALDH1A1CYP3A4SHBG
SCHEMBL13652825 0.71 SMN1; SMN2 (0.35) ALDH1A1ESR1CYP3A4SHBG
SCHEMBL13652815 0.70 CYP3A4 (0.34) ALDH1A1ESR1CYP3A4ESR2
SCHEMBL2612593 0.70 ESR1 (0.42) ALDH1A1ESR1CYP3A4ESR2
SCHEMBL2612596 0.69 CYP3A4 (0.40) ALDH1A1ESR1CYP3A4SHBG

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-20090246416-A1 OPTICAL FILM, METHOD OF MANUFACTURING THE SAME, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY DEVICE KONICA MINOLTA OPTO, INC. (JP) 2009-10-01 — — US disclosed
Send feedback