SCHEMBL10054758

SCHEMBL10054758

CC(C)=CCCC(C)C1CCC2C3CC=C4C(C)(C)C(C(OO)c5cc(N)cc(N)c5)CCC4(C)C3CCC12C

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.57
GRIN1 Q05586 10/20 0.46
GRIN2A Q12879 9/20 0.46
GRIN2B Q13224 9/20 0.46
NR1H3 Q13133 4/20 0.46
OSBP P22059 3/20 0.46
OSBP2 Q969R2 2/20 0.46
PTPN1 P18031 2/20 0.44
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
ABCB1 P08183 1/20 0.42
CYP46A1 Q9Y6A2 1/20 0.42
EPHA2 P29317 1/20 0.41

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
SCHEMBL14552059 0.95 RORC (0.51) RORCGRIN1GRIN2AGRIN2BNR1H3
SCHEMBL12577481 0.86 RORC (0.65) RORCGRIN1GRIN2AGRIN2BNR1H3
SCHEMBL11994880 0.85 RORC (0.38) RORCNR1H3USP2LMNA
SCHEMBL106036 0.84 RORC (0.58) RORCGRIN1GRIN2AGRIN2BNR1H3
SCHEMBL14902982 0.83 RORC (0.51) RORCGRIN1GRIN2AGRIN2BNR1H3
SCHEMBL10054759 0.83 RORC (0.47) RORCGRIN1GRIN2AGRIN2BNR1H3
SCHEMBL105665 0.82 RORC (0.55) RORCGRIN1GRIN2AGRIN2BNR1H3
SCHEMBL19853034 0.82 RORC (0.55) RORCGRIN1GRIN2AGRIN2BNR1H3
SCHEMBL9999687 0.82 RORC (0.55) RORCGRIN1GRIN2AGRIN2BNR1H3
SCHEMBL12248255 0.81 RORC (0.58) RORCGRIN1GRIN2AGRIN2BNR1H3

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-20120013837-A1 COMPOSITION FOR FORMING LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY DEVICE SHARP KABUSHIKI KAISHA (JP) 2012-01-19 US disclosed