SCHEMBL7122482

SCHEMBL7122482

COc1ccc2c3c(ccc2c1)OC(c1ccc(C)cc1)(c1ccccc1F)C=C3

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.35
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 4/20 0.33
GAA P10253 3/20 0.33
THRB P10828 2/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 2/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 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
SCHEMBL3926851 0.95 DPP4 (0.36) DPP4KDM4EALDH1A1MAPTGAA
SCHEMBL14902890 0.94 KDM4E (0.32) DPP4KDM4EALDH1A1MAPTGAA
SCHEMBL13677583 0.89 HIF1A (0.34) DPP4KDM4EALDH1A1MAPTGAA
SCHEMBL13677565 0.89 DPP4 (0.33) DPP4KDM4EALDH1A1MAPTGAA
SCHEMBL7126396 0.88 CYP1A2 (0.36) DPP4KDM4EALDH1A1MAPTGAA
SCHEMBL2400659 0.87 KDM4E (0.38) DPP4KDM4EALDH1A1MAPTGAA
Benzene SCHEMBL7241108 0.86 LMNA (0.31) DPP4KDM4EALDH1A1MAPTGAA
SCHEMBL5097862 0.85 KDM4E (0.40) KDM4EALDH1A1MAPTGAATHRB
SCHEMBL1388004 0.85 DPP4 (0.33) DPP4KDM4EALDH1A1MAPTGAA
SCHEMBL5264237 0.82 CYP1A2 (0.41) DPP4KDM4EALDH1A1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628064-B2 PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2003-12-10 EP claimed
EP-0628064-B1 PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 1999-04-07 EP claimed
EP-0628064-A4 PHOTOCHROMIC NAPHTHOPYRANS. PPG INDUSTRIES INC (US) 1995-02-08 EP claimed
EP-0628064-A1 PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 1994-12-14 EP claimed
WO-1993017071-A1 PHOTOCHROMIC NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 1993-09-02 WO claimed
US-5238981-A PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 1993-08-24 US claimed
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