SCHEMBL7263189

SCHEMBL7263189

COc1cc2c(-c3ccccc3)cc3c(c2cc1OC)C=CC(c1ccccc1)(c1ccccc1)O3

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ACACA Q13085 1/20 0.36
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
BCHE P06276 2/20 0.34
PDE4D Q08499 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
WHR1 P49842 1/20 0.33
EGFR P00533 1/20 0.32
PGR P06401 1/20 0.32
RET P07949 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
SCHEMBL7263818 0.93 ACACA (0.38) ALDH1A1L3MBTL1ACACAKDM4EHSD17B10
SCHEMBL13219267 0.92 ALDH1A1 (0.33) ALDH1A1L3MBTL1ACACAKDM4EHSD17B10
SCHEMBL7263814 0.84 ACACA (0.33) ALDH1A1L3MBTL1ACACAKDM4EHPGD
SCHEMBL3701217 0.83 ACACA (0.43) ALDH1A1ACACAKDM4ECYP3A4HPGD
SCHEMBL3207524 0.82 ACHE (0.41) ALDH1A1L3MBTL1KDM4EHSD17B10HPGD
SCHEMBL3039685 0.81 ACHE (0.40) ALDH1A1L3MBTL1KDM4EHSD17B10HPGD
SCHEMBL12022729 0.81 ACHE (0.40) ALDH1A1L3MBTL1KDM4EHSD17B10HPGD
SCHEMBL7264850 0.80 TP53 (0.32) ALDH1A1L3MBTL1ACACAKDM4EHSD17B10
Methylene Chloride SCHEMBL3209457 0.79 ACHE (0.39) ALDH1A1L3MBTL1KDM4EHSD17B10HPGD
Methylene Chloride SCHEMBL3037402 0.79 ACHE (0.38) ALDH1A1L3MBTL1KDM4EHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6630597-B1 Photochromic 6-aryl substituted 3H-naphtho(2, 1-b)pyran compounds, examples of which are naphthopyran compounds having a substituted aryl group at the number 6 carbon atom and certain substituents at the 3-position of the pyran ring TRANSITIONS OPTICAL, INC. 2003-10-07 US claimed
US-10758643-B2 Mechanophoric medical product AESCULAP AG (DE) 2020-09-01 US disclosed
EP-3331581-B1 MECHANOPHORIC MEDICAL PRODUKT AESCULAP AG (DE) 2020-07-08 EP disclosed
US-20190151502-A1 Mechanophoric Medical Product AESCULAP AG (DE) 2019-05-23 US disclosed
EP-3331581-A1 MECHANOPHORIC MEDICAL PRODUCT Aesculap AG (DE) 2018-06-13 EP disclosed
WO-2017025408-A1 MECHANOPHORIC MEDICAL PRODUCT AESCULAP AG (DE) 2017-02-16 WO disclosed
US-6630597-B1 Photochromic 6-aryl substituted 3H-naphtho(2, 1-b)pyran compounds, examples of which are naphthopyran compounds having a substituted aryl group at the number 6 carbon atom and certain substituents at the 3-position of the pyran ring TRANSITIONS OPTICAL, INC. 2003-10-07 US disclosed