SCHEMBL8978536

SCHEMBL8978536

CCOC(=O)COc1c(C(=O)OC)c2c(c3ccccc13)OC(c1ccc(OC)cc1)(c1ccc3c(c1)CC(C)O3)C=C2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
MAPT P10636 5/20 0.36
HPGD P15428 5/20 0.36
KDM4E B2RXH2 4/20 0.36
GAA P10253 3/20 0.36
RAB9A P51151 1/20 0.34
TP53 P04637 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CASP1 P29466 2/20 0.32
HSD17B10 Q99714 2/20 0.32
PTPN1 P18031 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HIF1A Q16665 1/20 0.30
GLA P06280 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6652780 0.92 ALDH1A1 (0.34) ALDH1A1MAPTHPGDKDM4EGAA
SCHEMBL8978567 0.88 MAPT (0.45) ALDH1A1MAPTHPGDKDM4EGAA
SCHEMBL8978547 0.85 RAB9A (0.39) ALDH1A1RAB9ATP53TDP1L3MBTL1
SCHEMBL5646759 0.84 RAB9A (0.38) ALDH1A1HPGDKDM4ERAB9ATP53
SCHEMBL6653783 0.80 ALDH1A1 (0.40) ALDH1A1MAPTHPGDKDM4EGAA
SCHEMBL9280386 0.80 ATM (0.38) ALDH1A1MAPTHPGDKDM4ERAB9A
SCHEMBL5646592 0.79 RAB9A (0.34) ALDH1A1KDM4EGAARAB9ATDP1
SCHEMBL6169861 0.75 ATM (0.41) ALDH1A1MAPTHPGDKDM4ERAB9A
SCHEMBL13988301 0.75 L3MBTL1 (0.37) ALDH1A1MAPTRAB9ATP53TDP1
SCHEMBL1333703 0.75 ATM (0.39) ALDH1A1MAPTRAB9ATP53TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5573712-A PHOTOCHROMIC ARTICLE COMPRISING ORGANIC HOST AND THE PHOTOCHROMIC NAPHTHOPYRAN TRANSITIONS OPTICAL, INC. (US) 1996-11-12 US claimed
WO-1995016215-A1 NOVEL SUBSTITUTED NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 1995-06-15 WO claimed
US-5573712-A PHOTOCHROMIC ARTICLE COMPRISING ORGANIC HOST AND THE PHOTOCHROMIC NAPHTHOPYRAN TRANSITIONS OPTICAL, INC. (US) 1996-11-12 US disclosed
US-5458814-A Ophthalmic lenses TRANSITIONS OPTICAL, INC. (US) 1995-10-17 US disclosed