SCHEMBL5707975

SCHEMBL5707975

COc1ccc(C2(c3ccc(OC(F)(F)F)cc3)C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
ALDH1A1 P00352 3/20 0.38
GLA P06280 1/20 0.38
GAA P10253 2/20 0.38
PRKDC P78527 7/20 0.37
KDM4E B2RXH2 4/20 0.36
NPSR1 Q6W5P4 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
BLM P54132 1/20 0.36
POLB P06746 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6168924 0.93 MAPT (0.39) MAPTALDH1A1GLAGAAPRKDC
SCHEMBL2456236 0.93 PRKDC (0.41) MAPTALDH1A1GAAPRKDCKDM4E
SCHEMBL29375169 0.93 PRKDC (0.41) MAPTALDH1A1GAAPRKDCKDM4E
SCHEMBL8845387 0.91 LMNA (0.38) MAPTALDH1A1PRKDCKDM4ENPSR1
SCHEMBL2417015 0.91 PRKDC (0.40) MAPTALDH1A1GLAGAAPRKDC
SCHEMBL12205748 0.89 PRKDC (0.39) MAPTALDH1A1GAAPRKDCKDM4E
SCHEMBL14607589 0.88 POLB (0.40) MAPTALDH1A1GAAPRKDCKDM4E
SCHEMBL12259684 0.87 PRKDC (0.39) MAPTALDH1A1PRKDCKDM4ENPSR1
SCHEMBL7471010 0.86 NPSR1 (0.37) MAPTALDH1A1GAAPRKDCKDM4E
SCHEMBL12377275 0.84 MAPT (0.39) MAPTALDH1A1GAAPRKDCKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1707610-A2 Photochromic polymerizable composition Tokuyama Corporation (JP) 2006-10-04 EP disclosed
EP-0984053-B1 PHOTOCHROMIC POLYMERIZABLE COMPOSITION TOKUYAMA CORP (JP) 2006-09-06 EP disclosed
EP-0926146-B1 CHROMENE COMPOUNDS TOKUYAMA CORP (JP) 2003-02-12 EP disclosed
US-6362248-B1 MIXTURE OF (METH)ACRYLATE MONOMER AND CHROMENE COMPOUND TOKUYAMA CORPORATION (JP) 2002-03-26 US disclosed
US-6197225-B1 PHOTOCHROMIC LENS MADE OF A POLYMER OF A PHOTOCHROMIC POLYMERIZABLE COMPOSITION TOKUYAMA CORPORATION (JP) 2001-03-06 US disclosed
US-6141135-A Photochromic composition TOKUYAMA CORPORATION (JP) 2000-10-31 US disclosed
EP-0984053-A1 PHOTOCHROMIC POLYMERIZABLE COMPOSITION TOKUYAMA CORPORATION (JP) 2000-03-08 EP disclosed
EP-0965628-A1 Photochromic composition TOKUYAMA CORPORATION (JP) 1999-12-22 EP disclosed
EP-0926146-A1 CHROMENE COMPOUNDS TOKUYAMA CORPORATION (JP) 1999-06-30 EP disclosed