SCHEMBL8309772

SCHEMBL8309772

CC(C)C(=O)Oc1cc2c(c3ccccc13)C=CC(c1ccccc1)(c1ccccc1)O2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX15 P16050 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
HTT P42858 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
PTPN1 P18031 1/20 0.31
ADRB2 P07550 1/20 0.30
ADRA2A P08913 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA2C P18825 1/20 0.30
DRD1 P21728 1/20 0.30
ADRA1A P35348 1/20 0.30
DRD3 P35462 1/20 0.30
KLKB1 P03952 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL8445339 0.79 BACE1 (0.40) MEN1KMT2AHTTALDH1A1TSHR
SCHEMBL7553115 0.73 PDE4D (0.39) MEN1KMT2ANPSR1HTTALDH1A1
SCHEMBL7120307 0.72 HIF1A (0.36) MEN1KMT2AHTTALDH1A1L3MBTL1
SCHEMBL13219265 0.72 CNR1 (0.32)
SCHEMBL7128812 0.71 MAPT (0.40) ELANEMEN1KMT2AHTTALDH1A1
SCHEMBL5181404 0.70 KLKB1 (0.40) ELANEMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL30003172 0.69 ALOX15 (0.50) ELANEMEN1KMT2AALOX15NPSR1
SCHEMBL13219268 0.68 GPR84 (0.37) MEN1KMT2AALDH1A1PTPN1
SCHEMBL7888138 0.67 HTT (0.36) MEN1KMT2ANPSR1HTTALDH1A1
SCHEMBL10102247 0.67 KLKB1 (0.37) MEN1KMT2AALDH1A1L3MBTL1KLKB1

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-0954761-A1 PHOTOCHROMIC SUBSTITUTED NAPHTHOPYRAN COMPOUNDS PPG Industries Ohio, Inc. (US) 1999-11-10 EP claimed
EP-0954761-A4 1999-11-10 EP claimed
US-5744070-A Photochromic substituted naphthopyran compounds TRANSITIONS OPTICAL, INC. (US) 1998-04-28 US claimed
WO-1997022895-A1 PHOTOCHROMIC SUBSTITUTED NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1997-06-26 WO claimed
EP-0954761-A1 PHOTOCHROMIC SUBSTITUTED NAPHTHOPYRAN COMPOUNDS PPG Industries Ohio, Inc. (US) 1999-11-10 EP disclosed
EP-0954761-A4 1999-11-10 EP disclosed
US-5744070-A Photochromic substituted naphthopyran compounds TRANSITIONS OPTICAL, INC. (US) 1998-04-28 US disclosed
WO-1997022895-A1 PHOTOCHROMIC SUBSTITUTED NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1997-06-26 WO disclosed