SCHEMBL8357982

SCHEMBL8357982

CC(C)(C)c1cccc(C(C)(C)C)c1-c1cccc(P(O)O)c1-c1c(C(C)(C)C)cccc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.41
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTPN5 P54829 1/20 0.32
ALOX12 P18054 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
SCHEMBL8359846 0.87 SMN1; SMN2 (0.39) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL2680009 0.87 CYP1A2 (0.33) CA2ALDH1A1TSHRPTPN5
SCHEMBL29496709 0.81 CA2 (0.34) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL2679447 0.81 CA2 (0.39) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL11571137 0.77 CA2 (0.39) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL29459446 0.76 CA2 (0.35) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL39187 0.73 CA2 (0.46) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL10523675 0.73 CA2 (0.60) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL22686108 0.72 CA2 (0.62) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL4154405 0.72 TSHR (0.37) CA2GABRA1GABRB2ALDH1A1TSHR

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
US-5945243-A COATING PHOTOCONDUCTIVE FILM(CONTAINING A CHARGE TRANSPORT AGENT)ONTO A CONDUCTIVE SUBSTRATE FUJI ELECTRIC CO., LTD (JP) 1999-08-31 US claimed
US-5945243-A COATING PHOTOCONDUCTIVE FILM(CONTAINING A CHARGE TRANSPORT AGENT)ONTO A CONDUCTIVE SUBSTRATE FUJI ELECTRIC CO., LTD (JP) 1999-08-31 US disclosed
US-5945243-A COATING PHOTOCONDUCTIVE FILM(CONTAINING A CHARGE TRANSPORT AGENT)ONTO A CONDUCTIVE SUBSTRATE FUJI ELECTRIC CO., LTD (JP) 1999-08-31 US disclosed