SCHEMBL7120307

SCHEMBL7120307

COc1cccc2c3c(ccc12)OC(c1ccccc1)(c1ccccc1)C=C3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.36
BCHE P06276 3/20 0.36
PDE4D Q08499 1/20 0.35
PTPN1 P18031 1/20 0.34
ALDH1A1 P00352 2/20 0.33
IDO1 P14902 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
CYP2A6 P11509 1/20 0.33
EP300 Q09472 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
ACHE P22303 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
PLAU P00749 1/20 0.32
PNMT P11086 1/20 0.32

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
SCHEMBL1387363 0.86 BCHE (0.35) HIF1ABCHEPDE4DPTPN1ALDH1A1
SCHEMBL7553115 0.78 PDE4D (0.39) HIF1APDE4DALDH1A1L3MBTL1HTT
SCHEMBL5615321 0.77 SMN1; SMN2 (0.43) ALDH1A1L3MBTL1HTTSMN1; SMN2CYP2A6
SCHEMBL5264237 0.77 CYP1A2 (0.41) ALDH1A1L3MBTL1HTTSMN1; SMN2CYP2A6
SCHEMBL8722690 0.76 HTT (0.43) PTPN1ALDH1A1L3MBTL1HTTMEN1
SCHEMBL361847 0.76 KDM4E (0.50) HIF1AALDH1A1L3MBTL1HTTSMN1; SMN2
SCHEMBL7131287 0.75 KDM4E (0.40) ALDH1A1L3MBTL1HTTSMN1; SMN2CYP2A6
SCHEMBL5615531 0.74 ALDH1A1 (0.43) HIF1AALDH1A1HTTSMN1; SMN2CYP2A6
SCHEMBL7263189 0.73 ALDH1A1 (0.38) BCHEPDE4DALDH1A1L3MBTL1MEN1
SCHEMBL3929015 0.73 HTT (0.39) ALDH1A1L3MBTL1HTTSMN1; SMN2SIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628064-B2 PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2003-12-10 EP disclosed
EP-0628064-B1 PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 1999-04-07 EP disclosed
US-5585042-A REVERSIBLE CHANGE IN COLOR WHEN EXPOSURED TO ULTRAVIOLET RADIATION TRANSITIONS OPTICAL, INC. (US) 1996-12-17 US disclosed
EP-0628064-A4 PHOTOCHROMIC NAPHTHOPYRANS. PPG INDUSTRIES INC (US) 1995-02-08 EP disclosed
EP-0628064-A1 PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 1994-12-14 EP disclosed
US-5369158-A And polymer TRANSITIONS OPTICAL, INC. (US) 1994-11-29 US disclosed
WO-1993017071-A1 PHOTOCHROMIC NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 1993-09-02 WO disclosed
US-5238981-A PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 1993-08-24 US disclosed