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SCHEMBL15214880

SCHEMBL15214880

CCOc1ccc(C2(c3ccc(OCCO)cc3)C=Cc3c4c(c5ccccc5c3O2)-c2ccccc2C4(C)C)cc1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ CHRNA7 P36544 1/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ ALK Q9UM73 1/20 0.32
▸ PDK2 Q15119 2/20 0.31
▸ POLB P06746 1/20 0.30
▸ CHRM5 P08912 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPK1 P28482 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
SCHEMBL13988190 0.95 ALK (0.33) CHRNB4CHRNA3CHRNA7NR1I2ALK
SCHEMBL2371469 0.93 ALK (0.32) CHRNB4CHRNA3CHRNA7NR1I2ALK
SCHEMBL13988163 0.92 PDK2 (0.32) CHRNB4CHRNA3CHRNA7ALKPDK2
SCHEMBL25716068 0.90 ALDH1A1 (0.32) LMNA
SCHEMBL25604057 0.88 ALK (0.32) ALK
SCHEMBL8510608 0.87 MEN1 (0.32) ALKPDK2LMNA
SCHEMBL8512866 0.87 PLA2G4A (0.33) PDK2POLBLMNAMAPK1L3MBTL1
SCHEMBL29664189 0.87 RECQL (0.33) PDK2LMNAL3MBTL1
SCHEMBL10102320 0.87 NPSR1 (0.31) PDK2LMNA
SCHEMBL9929431 0.87 RECQL (0.33) PDK2LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518305-B2 Photochromic materials TRANSITIONS OPTICAL, INC. (US) 2013-08-27 — — US disclosed