SCHEMBL6990194

SCHEMBL6990194

COc1ccc(C2(c3ccc(OC(F)(F)F)cc3)C=Cc3c(C(C)C)cc4ccccc4c3O2)cc1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TRPV1 Q8NER1 2/20 0.33
P2RY1 P47900 1/20 0.33
GABBR2 O75899 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
SLC6A4 P31645 3/20 0.31
SLC6A3 Q01959 3/20 0.31
SLC6A2 P23975 1/20 0.31
NR1I2 O75469 1/20 0.31
CASR P41180 2/20 0.31
ACP1 P24666 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL6990034 0.94 P2RY1 (0.34) P2RY1SLC6A4SLC6A3SLC6A2NR1I2
SCHEMBL29756206 0.81 MEN1 (0.32)
SCHEMBL5545747 0.81 MEN1 (0.32)
SCHEMBL6992908 0.79 TLR4 (0.32) L3MBTL1
SCHEMBL6995620 0.79 GPR84 (0.38) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL10102260 0.78 GPR84 (0.34) GPR84
SCHEMBL7528619 0.76 GPR84 (0.48) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL17929234 0.75 ACP1 (0.34) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL7782083 0.74 KDM4E (0.44) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL7529928 0.73 GPR84 (0.46) KDM4EALDH1A1MAPTHPGDSMN1; SMN2

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