SCHEMBL7818669

SCHEMBL7818669

COc1ccc(C2(c3ccccc3F)C=Cc3c(ccc4ccccc34)O2)cc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
ABCG2 Q9UNQ0 4/20 0.34
ABCC1 P33527 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHRM5 P08912 3/20 0.34
HIF1A Q16665 1/20 0.32
ABCB1 P08183 1/20 0.32
MYB P10242 1/20 0.32
BCHE P06276 2/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL7128002 0.92 MAPT (0.36) MAPTALDH1A1KDM4EMEN1NPC1
SCHEMBL27501457 0.87 HIF1A (0.34) MAPTALDH1A1KDM4EMEN1NPC1
SCHEMBL2400659 0.85 KDM4E (0.38) MAPTALDH1A1KDM4EMEN1NPC1
SCHEMBL5097862 0.83 KDM4E (0.40) MAPTALDH1A1KDM4EMEN1NPC1
SCHEMBL12316024 0.82 CHRM5 (0.37) MAPTALDH1A1KDM4EGAAHTT
SCHEMBL7821439 0.80 NPC1 (0.37) MAPTALDH1A1KDM4EMEN1NPC1
SCHEMBL6901395 0.79 KDM4E (0.33) MAPTALDH1A1KDM4EMEN1NPC1
SCHEMBL3926851 0.79 DPP4 (0.36) MAPTALDH1A1KDM4EMEN1NPC1
SCHEMBL2599683 0.79 ALDH1A1 (0.38) MAPTALDH1A1KDM4EMEN1NPC1
SCHEMBL7122482 0.78 DPP4 (0.35) MAPTALDH1A1KDM4ENPC1LMNA

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-0704067-B1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG IND OHIO INC (US) 2001-08-01 EP disclosed
EP-0704067-A1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1996-04-03 EP disclosed
EP-0704067-A4 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES INC (US) 1996-02-02 EP disclosed
US-5458815-A Photochromic naphthopyran compounds TRANSITIONS OPTICAL, INC. (US) 1995-10-17 US disclosed
US-5384077-A Naphthopyrans TRANSITIONS OPTICAL, INC. (US) 1995-01-24 US disclosed
WO-1995000866-A1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1995-01-05 WO disclosed