SCHEMBL5094572

SCHEMBL5094572

FC(F)(F)c1cccc(C2(c3ccccc3)C=Cc3c(ccc4ccccc34)O2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
CNR2 P34972 1/20 0.35
HCAR3 P49019 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
KDM1A O60341 2/20 0.34
OPRL1 P41146 2/20 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
SCHEMBL5615529 0.89 ALDH1A1 (0.42) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL361847 0.85 KDM4E (0.50) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL30284405 0.85 KDM4E (0.50) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL9056690 0.83 KDM4E (0.44) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL2517095 0.79 KDM4E (0.45) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL5615504 0.79 AHR (0.38) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL1387642 0.78 ALDH1A1 (0.40) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL8122614 0.78 KDM1A (0.33) ALDH1A1MAPTHPGDHCAR3HCAR2
SCHEMBL9104399 0.77 KDM4E (0.40) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL7127029 0.76 TP53 (0.36) KDM4ENPC1HPGDHTTSMN1; SMN2

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