SCHEMBL5107553

SCHEMBL5107553

COc1ccc2c(C)c(CC(C)O)c3c(c2c1)OC(c1cccc(C(F)(F)F)c1)(c1cccc(C(F)(F)F)c1)C=C3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.37
AKR1C2 P52895 3/20 0.37
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
GRIN2B Q13224 1/20 0.34
KCNH2 Q12809 2/20 0.34
KCNA5 P22460 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MITF O75030 1/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 3/20 0.33
LMNA P02545 3/20 0.33
HTT P42858 3/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 2/20 0.33
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL5107898 0.82 AKR1C3 (0.39) AKR1C3AKR1C2MTNR1AMTNR1BGRIN2B
SCHEMBL5094512 0.80 AKR1C3 (0.39) AKR1C3AKR1C2MTNR1AMTNR1BGRIN2B
SCHEMBL29565106 0.75 KDM4E (0.37) AKR1C3AKR1C2ALDH1A1KDM4EMEN1
SCHEMBL6651812 0.75 KDM4E (0.37) AKR1C3AKR1C2ALDH1A1KDM4EMEN1
SCHEMBL25607018 0.70 TP53 (0.36) AKR1C3AKR1C2ALDH1A1MITFKDM4E
SCHEMBL5101669 0.70 PDK2 (0.31) AKR1C3AKR1C2ALDH1A1MITFKDM4E
SCHEMBL25607028 0.70 TP53 (0.33) AKR1C3AKR1C2MITFLMNAGSK3B
SCHEMBL1844892 0.69 AHR (0.39) KDM4EMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL25607020 0.69 TP53 (0.35) ALDH1A1KDM4EMEN1LMNAHTT
SCHEMBL25718162 0.69 TP53 (0.32) LMNACYP2C19

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