SCHEMBL7528995

SCHEMBL7528995

COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c(C)cc4c(OC)cc(OC)cc4c3O2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 2/20 0.37
CYP2C19 P33261 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
CYP2C9 P11712 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA13 Q8N1Q1 1/20 0.33
CYP3A4 P08684 3/20 0.32
NQO2 P16083 2/20 0.32
GLA P06280 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL7528300 0.94 PKM (0.37) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL7530319 0.94 LMNA (0.35) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL6131956 0.93 SLC2A1 (0.35) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL7528138 0.90 MEN1 (0.33) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL10106936 0.87 SLC2A1 (0.36) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL7525851 0.86 TDP1 (0.32) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL7534540 0.85 CNR1 (0.32) ALDH1A1KDM4ELMNAHTTL3MBTL1
SCHEMBL10102406 0.83 SLC2A1 (0.36) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL7533658 0.82 PIK3CA (0.37) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL6995620 0.80 GPR84 (0.38) ALDH1A1KDM4EHPGDHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920645-B1 NAPHTHOPYRANS, COMPOSITIONS AND ARTICLES CONTAINING THEM CORNING INC (US) 2002-04-03 EP disclosed
US-6096246-A POLYMER LENSES WITH RADIATION RESISTANT NAPHTHOPYRAN MIXTURES CORNING INCORPORATED (US) 2000-08-01 US disclosed