SCHEMBL13652820

SCHEMBL13652820

Cc1c(C(C)(C)C)cc(-n2n3c4ccccc4n23)c(O)c1C(C)(C)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.35
▸ ESR2 Q92731 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CNR1 P21554 3/20 0.32
▸ CNR2 P34972 3/20 0.32
▸ TSHR P16473 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ GABRA1 P14867 1/20 0.31
▸ GABRB2 P47870 1/20 0.31
▸ HPN P05981 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ SIRT5 Q9NXA8 1/20 0.31
▸ CA2 P00918 2/20 0.31
▸ POLB P06746 1/20 0.30
▸ TYR P14679 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL13652821 0.86 ESR1 (0.37) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL13652813 0.77 ESR1 (0.38) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL13652814 0.77 CYP3A4 (0.39) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL2612593 0.75 ESR1 (0.42) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL13652844 0.73 ALDH1A1 (0.33) ESR1ESR2ALDH1A1CYP3A4
SCHEMBL13652818 0.73 ESR1 (0.40) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL9002281 0.73 TSHR (0.46) ALDH1A1CYP3A4TSHRCYP1A2CYP2C9
SCHEMBL13245893 0.73 SMN1; SMN2 (0.53) ALDH1A1TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL13652819 0.71 ESR1 (0.47) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL13652815 0.70 CYP3A4 (0.34) ESR1ESR2ALDH1A1CYP3A4CNR1

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
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