SCHEMBL14566258

SCHEMBL14566258

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.53
▸ GABRA1 P14867 1/20 0.47
▸ GABRB2 P47870 1/20 0.47
▸ ATM Q13315 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ALOX12 P18054 1/20 0.40
▸ RBP4 P02753 6/20 0.36
▸ PTPN5 P54829 1/20 0.34
▸ BCHE P06276 1/20 0.33
▸ F2R P25116 1/20 0.32
▸ HPN P05981 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ SIRT5 Q9NXA8 1/20 0.32
▸ CA1 P00915 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ PTGS1 P23219 1/20 0.31

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
SCHEMBL13652818 0.84 ESR1 (0.40) CA2GABRA1GABRB2ATMALDH1A1
SCHEMBL14566262 0.84 CA2 (0.35) CA2GABRA1GABRB2ATMALDH1A1
SCHEMBL14566260 0.84 CA2 (0.43) CA2GABRA1GABRB2ATMALDH1A1
SCHEMBL14566259 0.84 CA2 (0.43) CA2GABRA1GABRB2ATMALDH1A1
SCHEMBL9002281 0.80 TSHR (0.46) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL13245893 0.80 SMN1; SMN2 (0.53) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL10453379 0.76 CA2 (0.57) CA2ALDH1A1TSHRTDP1F2R
SCHEMBL13223584 0.76 HSPA5 (0.50) ATMALDH1A1TSHRTDP1NPSR1
SCHEMBL28361779 0.74 CA2 (0.94) CA2GABRA1GABRB2ATMALDH1A1
SCHEMBL22444875 0.74 CA2 (0.94) CA2GABRA1GABRB2ATMALDH1A1

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-20070048458-A1 Optical film, method of producing the same, optical compensatory film, polarizing film, and liquid crystal display device FUJI PHOTO FILM CO., LTD. (JP) 2007-03-01 — — US disclosed
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