SCHEMBL7001887

SCHEMBL7001887

COC(=O)c1c2c(c3ccccc3c1OC)OC(c1ccccc1)(c1ccccc1)C=C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 2/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
IDO1 P14902 2/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PTPN1 P18031 1/20 0.34
HIF1A Q16665 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGS1 P23219 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 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
SCHEMBL6169861 0.92 ATM (0.41) EGFRSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL8978531 0.90 SMN1; SMN2 (0.36) EGFRSMN1; SMN2TSHRALDH1A1KDM4E
SCHEMBL10106951 0.88 ATM (0.39) EGFRSMN1; SMN2ALDH1A1HPGDNPSR1
SCHEMBL7501698 0.88 ALDH1A1 (0.35) EGFRSMN1; SMN2TSHRALDH1A1KDM4E
SCHEMBL7501188 0.88 SMN1; SMN2 (0.34) EGFRSMN1; SMN2TSHRALDH1A1KDM4E
SCHEMBL5181404 0.88 KLKB1 (0.40) EGFRSMN1; SMN2TSHRALDH1A1IDO1
SCHEMBL5160384 0.88 MAPT (0.40) SMN1; SMN2TSHRALDH1A1KDM4EMEN1
SCHEMBL8978520 0.87 SMN1; SMN2 (0.34) EGFRSMN1; SMN2TSHRALDH1A1IDO1
SCHEMBL28742192 0.87 SMN1; SMN2 (0.34) EGFRSMN1; SMN2TSHRALDH1A1MEN1
SCHEMBL5644282 0.87 ALDH1A1 (0.39) SMN1; SMN2TSHRALDH1A1KDM4EIDO1

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-1025104-B1 7-METHYLIDENE-5-OXO-FURO FUSED NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2003-01-22 EP disclosed
EP-1097156-B1 PHTOCHROMIC BENZOPYRANO-FUSED NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2002-10-02 EP disclosed
EP-1097155-B1 PHOTOCHROMIC SIX-MEMBERED HETEROCYCLIC-FUSED NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2002-09-18 EP disclosed
EP-1037885-B1 NOVEL WATER SOLUBLE PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL INC (US) 2002-03-27 EP disclosed
US-6022495-A FOR OPTICAL APPLICATIONS TRANSITIONS OPTICAL, INC. (US) 2000-02-08 US disclosed
US-6022497-A NAPHTHOPYRAN COMPOUNDS WHEN EXPOSED TO ELECTROMAGNETIC RADIATION CONTAINING ULTRAVIOLET RAYS, EXHIBIT A REVERSIBLE CHANGE IN COLOR AND WHEN ULTRAVIOLET RADIATION DISCONTINUED THE PHOTOCHROMIC COMPOUND WILL RETURN TO COLORLESS STATE PPG INDUSTRIES OHIO, INC. (US) 2000-02-08 US disclosed
US-5879592-A Water soluble photochromic compounds, compositions and optical elements comprising the compounds PPG INDUSTRIES, INC. (US) 1999-03-09 US disclosed
US-5811034-A PHOTOCHROMIC COMPOUNDS PPG INDUSTRIES, INC. (US) 1998-09-22 US disclosed