SCHEMBL8360217

SCHEMBL8360217

CC(C)(C)c1cccc(C(C)(C)C)c1OP(Oc1c(C(C)(C)C)cccc1C(C)(C)C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
KIF11 P52732 1/20 0.34
ATM Q13315 1/20 0.33
CYP3A4 P08684 1/20 0.32
NR1H4 Q96RI1 1/20 0.31
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 2/20 0.31
GAA P10253 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 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
SCHEMBL2908343 0.89 CA2 (0.35) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL4300972 0.86 CA2 (0.39) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL7886584 0.86 CA2 (0.39) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL2903584 0.86 KIF11 (0.33) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL11496623 0.83 CA2 (0.36) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL3417517 0.83 CYP2C19 (0.42) ALDH1A1TDP1TSHRCYP3A4MAPK1
SCHEMBL11300513 0.83 ALDH1A1 (0.39) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL3418456 0.82 TDP1 (0.42) CA2ALDH1A1TDP1TSHRNPSR1
SCHEMBL31556872 0.80 TDP1 (0.36) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL75583 0.79 CA2 (0.46) CA2GABRA1GABRB2ALDH1A1TDP1

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 2 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