SCHEMBL8667535

SCHEMBL8667535

CC(=Cc1ccccc1)C1(c2ccccc2)C=Cc2c(ccc3ccccc23)O1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
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
CA12 O43570 1/20 0.34
CA9 Q16790 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
SCHEMBL8667533 1.00 HTT (0.42) HTTSMN1; SMN2KDM4EMEN1NPC1
SCHEMBL9000584 0.77 PTGS1 (0.34)
SCHEMBL9000591 0.77 PTGS1 (0.34)
SCHEMBL8665745 0.74 KDM4E (0.43) HTTSMN1; SMN2KDM4EMEN1NPC1
SCHEMBL8665743 0.74 KDM4E (0.43) HTTSMN1; SMN2KDM4EMEN1NPC1
SCHEMBL8665747 0.74 KDM4E (0.43) HTTSMN1; SMN2KDM4EMEN1NPC1
SCHEMBL30284405 0.72 KDM4E (0.50) HTTSMN1; SMN2KDM4EMEN1NPC1
SCHEMBL361847 0.72 KDM4E (0.50) HTTSMN1; SMN2KDM4EMEN1NPC1
SCHEMBL5645944 0.72 ACHE (0.35) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL13998235 0.70 KDM4E (0.37) HTTSMN1; SMN2KDM4EMEN1NPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0662968-B1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES INC (US) 1998-12-02 EP disclosed
EP-0662968-A1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1995-07-19 EP disclosed
EP-0662968-A4 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS. PPG INDUSTRIES INC (US) 1995-04-12 EP disclosed
WO-1994007889-A1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1994-04-14 WO disclosed
US-5274132-A Photochromic naphthopyran compounds TRANSITIONS OPTICAL, INC. (US) 1993-12-28 US disclosed