SCHEMBL13652818

SCHEMBL13652818

CC(C)(c1ccccc1)c1cccc(-n2n3c4ccccc4n23)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.40
▸ ESR2 Q92731 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CA2 P00918 1/20 0.35
▸ CNR1 P21554 4/20 0.33
▸ CNR2 P34972 4/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ RCE1 Q9Y256 1/20 0.31
▸ RBP4 P02753 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
SCHEMBL14566258 0.84 CA2 (0.53) ALDH1A1CA2GABRA1GABRB2MAPT
SCHEMBL2612593 0.84 ESR1 (0.42) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL13652813 0.82 ESR1 (0.38) ESR1ESR2ALDH1A1CYP3A4CA2
SCHEMBL13652814 0.82 CYP3A4 (0.39) ESR1ESR2ALDH1A1CYP3A4CA2
SCHEMBL14566262 0.79 CA2 (0.35) ALDH1A1CA2GABRA1GABRB2ATM
SCHEMBL13652815 0.78 CYP3A4 (0.34) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL1276539 0.78 CA2 (0.56) ESR1ESR2ALDH1A1CYP3A4CA2
SCHEMBL2612597 0.77 SHBG (0.36) ESR1ESR2ALDH1A1CYP3A4TSHR
SCHEMBL29904482 0.75 NPC1 (0.41) ESR1ESR2ALDH1A1CYP3A4CA2
SCHEMBL20272359 0.75 NPC1 (0.41) ESR1ESR2ALDH1A1CYP3A4CA2

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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