SCHEMBL8978679

SCHEMBL8978679

COC(=O)Oc1c(C(=O)OC)c2c(c3ccccc13)OC(c1ccc(C)cc1)(c1ccc(C)cc1)C=C2

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
NR4A2 P43354 1/20 0.33
MAPT P10636 3/20 0.32
EGFR P00533 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 4/20 0.31
ALDH1A1 P00352 3/20 0.31
MEN1 O00255 2/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 3/20 0.30
MAPK1 P28482 1/20 0.30
HPGD P15428 2/20 0.30
NCEH1 Q6PIU2 1/20 0.30
POLB P06746 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
SCHEMBL10102247 0.89 KLKB1 (0.37) SMN1; SMN2TDP1NR4A2MAPTATM
SCHEMBL13464551 0.88 SMN1; SMN2 (0.38) SMN1; SMN2TDP1NR4A2MAPTATM
SCHEMBL10106951 0.88 ATM (0.39) SMN1; SMN2TDP1MAPTEGFRATM
SCHEMBL6651346 0.87 L3MBTL1 (0.36) SMN1; SMN2HSD17B10TDP1MAPTL3MBTL1
SCHEMBL10102251 0.87 SMN1; SMN2 (0.37) SMN1; SMN2TDP1NR4A2MAPTATM
SCHEMBL29913570 0.86 KDM4E (0.36) SMN1; SMN2TDP1NR4A2MAPTATM
SCHEMBL8978570 0.86 KDM4E (0.36) SMN1; SMN2TDP1NR4A2MAPTATM
SCHEMBL8978531 0.85 SMN1; SMN2 (0.36) SMN1; SMN2HSD17B10TDP1NR4A2MAPT
SCHEMBL5645426 0.84 SMN1; SMN2 (0.35) SMN1; SMN2TDP1NR4A2MAPTEGFR
SCHEMBL10102253 0.84 SMN1; SMN2 (0.45) SMN1; SMN2TDP1MAPTATML3MBTL1

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