SCHEMBL8978567

SCHEMBL8978567

CCOC(=O)COc1c(C(=O)OC)c2c(c3ccccc13)OC(c1ccc(OC)cc1)(c1ccc(OC)cc1)C=C2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
KDM4E B2RXH2 3/20 0.45
GAA P10253 2/20 0.45
TACR3 P29371 1/20 0.36
TP53 P04637 2/20 0.36
HSD17B10 Q99714 1/20 0.36
PTPN1 P18031 2/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL9280386 0.91 ATM (0.38) MAPTALDH1A1HPGDKDM4EMEN1
SCHEMBL6653783 0.88 ALDH1A1 (0.40) MAPTALDH1A1HPGDKDM4EGAA
SCHEMBL8978536 0.88 ALDH1A1 (0.36) MAPTALDH1A1HPGDKDM4EGAA
SCHEMBL6169861 0.86 ATM (0.41) MAPTALDH1A1HPGDKDM4ETP53
SCHEMBL9912574 0.85 L3MBTL1 (0.37) MAPTALDH1A1HPGDKDM4EMEN1
SCHEMBL13988301 0.85 L3MBTL1 (0.37) MAPTALDH1A1TP53TDP1ATM
SCHEMBL1333703 0.85 ATM (0.39) MAPTALDH1A1TACR3TP53TDP1
SCHEMBL10106951 0.84 ATM (0.39) MAPTALDH1A1HPGDTP53MEN1
SCHEMBL9912579 0.84 L3MBTL1 (0.36) ALDH1A1KDM4ETP53MEN1KMT2A
SCHEMBL1331983 0.82 L3MBTL1 (0.35) MAPTALDH1A1TP53TDP1ATM

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-5458814-A Ophthalmic lenses TRANSITIONS OPTICAL, INC. (US) 1995-10-17 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