SCHEMBL5094598

SCHEMBL5094598

CC(=O)Oc1cc2c(c3ccccc13)C=CC(c1ccccc1)(c1ccccc1F)O2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
TSHR P16473 2/20 0.35
HCAR2 Q8TDS4 1/20 0.34
HIF1A Q16665 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
SHMT2 P34897 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ESR1 P03372 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
HMGB1 P09429 1/20 0.30
HPGD P15428 1/20 0.30
GGT1 P19440 1/20 0.30
PTGS1 P23219 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
SCHEMBL8722690 0.89 HTT (0.43) HTTTSHRALDH1A1MEN1LMNA
SCHEMBL8445339 0.80 BACE1 (0.40) HTTTSHRHIF1AALDH1A1MEN1
SCHEMBL8309772 0.78 ELANE (0.34) HTTTSHRALDH1A1MEN1KMT2A
SCHEMBL8782703 0.74 GPR84 (0.34) HIF1AALDH1A1MEN1MAPTKMT2A
SCHEMBL8782282 0.72 ALDH1A1 (0.34) TSHRHIF1AALDH1A1MEN1LMNA
SCHEMBL8724020 0.72 MAPT (0.41) TSHRALDH1A1MEN1MAPTKMT2A
SCHEMBL7816561 0.71 FNTA (0.33)
SCHEMBL5646001 0.71 MAPT (0.36) HIF1AALDH1A1MEN1MAPTKMT2A
SCHEMBL12316024 0.71 CHRM5 (0.37) HTTHIF1AALDH1A1MAPTKDM4E
SCHEMBL5097862 0.70 KDM4E (0.40) HTTALDH1A1MEN1LMNAMAPT

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-7320826-B2 comprises 3-(4-methoxyphenyl)-3-phenyl-6,7,10,11-tetramethoxy-13-ethyl-13-hydroxy-13H-3H-indeno[2,'3,'3,4]naphtho[1,2-b]pyran; for activation via actinic radiation; improved optical density response; ophthalmic lens PPG INDUSTRIES OHIO, INC. (US) 2008-01-22 US claimed
US-20040191520-A1 Photochromic articles with reduced temperature dependency and methods for preparation TRANSITIONS OPTICAL LIMITED (IE) 2004-09-30 US claimed
US-7320826-B2 comprises 3-(4-methoxyphenyl)-3-phenyl-6,7,10,11-tetramethoxy-13-ethyl-13-hydroxy-13H-3H-indeno[2,'3,'3,4]naphtho[1,2-b]pyran; for activation via actinic radiation; improved optical density response; ophthalmic lens PPG INDUSTRIES OHIO, INC. (US) 2008-01-22 US disclosed
US-20040191520-A1 Photochromic articles with reduced temperature dependency and methods for preparation TRANSITIONS OPTICAL LIMITED (IE) 2004-09-30 US disclosed