SCHEMBL10017548

SCHEMBL10017548

CC(C)CCC(C)C1CCC2C3CCC4C(C)(C)C(C(OO)c5cc(N)cc(N)c5)CCC4(C)C3CCC12C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
GRIN2A Q12879 7/20 0.41
INPP5D Q92835 1/20 0.41
PTPN1 P18031 1/20 0.40
GRIN1 Q05586 6/20 0.40
GRIN2B Q13224 6/20 0.40
OSBP P22059 2/20 0.40
NR1H3 Q13133 2/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
RORC P51449 1/20 0.40
OSBP2 Q969R2 1/20 0.40
SRD5A1 P18405 4/20 0.39
SRD5A2 P31213 3/20 0.39
NPC1L1 Q9UHC9 1/20 0.39
CDC25A P30304 1/20 0.39
AKR1B10 O60218 1/20 0.39
AKR1B1 P15121 1/20 0.39
EFNA1 P20827 1/20 0.39

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
SCHEMBL10054753 0.95 CYP2D6 (0.48) CYP2D6CYP2C19INPP5DOSBPFNTA
SCHEMBL10054759 0.89 RORC (0.47) CYP2C19GRIN2APTPN1GRIN1GRIN2B
SCHEMBL17430693 0.88 RORC (0.42) CYP2D6CYP2C19GRIN2AINPP5DPTPN1
SCHEMBL10017483 0.84 CYP2D6 (0.47) CYP2D6CYP2C19GRIN2AINPP5DPTPN1
SCHEMBL10054745 0.78 CYP2D6 (0.59) CYP2D6CYP2C19INPP5DOSBPFNTA
SCHEMBL14902981 0.78 CYP2D6 (0.52) CYP2D6CYP2C19INPP5DOSBPFNTA
SCHEMBL12248265 0.78 CYP2D6 (0.55) CYP2D6CYP2C19INPP5DOSBPFNTA
SCHEMBL11994878 0.76 HMGCR (0.35) PTPN1RORCLMNA
SCHEMBL14902980 0.75 RORC (0.41) CYP2D6CYP2C19GRIN2AINPP5DPTPN1
SCHEMBL15328611 0.74 CYP2D6 (0.49) CYP2D6CYP2C19INPP5DOSBPFNTA

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-20120026440-A1 LIQUID CRYSTAL DISPLAY DEVICE AND METHOD FOR MANUFACTURING THE SAME SONY CORPORATION (JP) 2012-02-02 US disclosed