SCHEMBL6992908

SCHEMBL6992908

COc1ccc(C2(c3ccc(OC)c(F)c3)C=Cc3c(C(C)C)cc4ccccc4c3O2)cc1F

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
NQO1 P15559 1/20 0.31
ABCG2 Q9UNQ0 2/20 0.30
KRAS P01116 1/20 0.30
SOS1 Q07889 1/20 0.30
PTGES O14684 1/20 0.30
TRPA1 O75762 1/20 0.30
CHRM5 P08912 1/20 0.30
ABCC1 P33527 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
SCHEMBL5545747 0.81 MEN1 (0.32)
SCHEMBL29756206 0.81 MEN1 (0.32)
SCHEMBL6990194 0.79 KDM4E (0.33) L3MBTL1
SCHEMBL10102260 0.78 GPR84 (0.34)
SCHEMBL6990034 0.76 P2RY1 (0.34)
SCHEMBL7562196 0.73 AHR (0.36) L3MBTL1
SCHEMBL8038479 0.71 AHR (0.38) L3MBTL1
SCHEMBL13880285 0.71 PGR (0.38)
SCHEMBL7128153 0.70 PDE4D (0.40) L3MBTL1NQO1KRASSOS1PTGES
SCHEMBL6995620 0.70 GPR84 (0.38) L3MBTL1ABCG2ABCC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0926146-B1 CHROMENE COMPOUNDS TOKUYAMA CORP (JP) 2003-02-12 EP claimed
EP-0926146-B1 CHROMENE COMPOUNDS TOKUYAMA CORP (JP) 2003-02-12 EP disclosed
US-6197225-B1 PHOTOCHROMIC LENS MADE OF A POLYMER OF A PHOTOCHROMIC POLYMERIZABLE COMPOSITION TOKUYAMA CORPORATION (JP) 2001-03-06 US disclosed
EP-0926146-A1 CHROMENE COMPOUNDS TOKUYAMA CORPORATION (JP) 1999-06-30 EP disclosed