SCHEMBL7060573

SCHEMBL7060573

CCC[C@H]1CC[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3F)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.43
ALDH1A1 P00352 5/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DGAT1 O75907 4/20 0.35
SOAT1 P35610 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ESR2 Q92731 2/20 0.35
S100A4 P26447 2/20 0.34
ACHE P22303 2/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
THRB P10828 1/20 0.32
PTPRC P08575 1/20 0.32

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
SCHEMBL5886415 1.00 CYP2C9 (0.43) CYP2C9ALDH1A1LMNAMAPTMAPK1
SCHEMBL7568425 0.82 CYP2C9 (0.47) CYP2C9ALDH1A1LMNAMAPTMAPK1
SCHEMBL7568419 0.82 CYP2C9 (0.47) CYP2C9ALDH1A1LMNAMAPTMAPK1
SCHEMBL16979159 0.81 CYP2C9 (0.46) CYP2C9ALDH1A1LMNAMAPTMAPK1
SCHEMBL5886318 0.80 ALDH1A1 (0.36) CYP2C9ALDH1A1LMNAMAPTMAPK1
SCHEMBL5886320 0.80 ALDH1A1 (0.36) CYP2C9ALDH1A1LMNAMAPTMAPK1
SCHEMBL2888658 0.80 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTMAPK1
SCHEMBL16983527 0.79 CYP2C9 (0.44) CYP2C9ALDH1A1LMNAMAPTMAPK1
SCHEMBL10429862 0.79 CYP2C9 (0.44) CYP2C9ALDH1A1LMNAMAPTMAPK1
SCHEMBL9561940 0.76 CYP2C9 (0.49) CYP2C9ALDH1A1LMNAMAPTMAPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0673986-B1 Active matrix type liquid crystal display apparatus HITACHI LTD (JP) 2003-06-04 EP claimed
EP-1070753-A2 Liquid crystal compounds and their use in active matrix type liquid crystal display devices HITACHI, LTD. (JP) 2001-01-24 EP claimed
EP-0673986-A2 Active matrix type liquid crystal display apparatus HITACHI, LTD. (JP) 1995-09-27 EP claimed
EP-0673986-B1 Active matrix type liquid crystal display apparatus HITACHI LTD (JP) 2003-06-04 EP disclosed
EP-1070753-A2 Liquid crystal compounds and their use in active matrix type liquid crystal display devices HITACHI, LTD. (JP) 2001-01-24 EP disclosed
EP-0673986-A2 Active matrix type liquid crystal display apparatus HITACHI, LTD. (JP) 1995-09-27 EP disclosed