SCHEMBL16995360

SCHEMBL16995360

Cc1ccccc1-c1ccc2c(-c3ccccc3Oc3ccccc3)c3cc(-c4ccccc4C)ccc3c(C3=CC=CCC3Oc3ccccc3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 5/20 0.36
▸ PTGS2 P35354 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.32
▸ HTR2C P28335 1/20 0.31
▸ F2 P00734 1/20 0.31
▸ PLG P00747 1/20 0.31
▸ PRSS1 P07477 1/20 0.31
▸ CAMKK2 Q96RR4 1/20 0.30
▸ SCN9A Q15858 1/20 0.30
▸ NCOA1 Q15788 1/20 0.30
▸ NCOA3 Q9Y6Q9 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
SCHEMBL13806979 0.82 BRD4 (0.46) BRD4PTGS2FFAR4F2PLG
SCHEMBL23369374 0.69 BRD4 (0.37) BRD4PTGS2FFAR4CAMKK2NCOA1
SCHEMBL4262930 0.67 CYP1A2 (0.46) —
SCHEMBL4276677 0.64 MCL1 (0.44) —
SCHEMBL8664846 0.61 CYP1A2 (0.49) NCOA1NCOA3
SCHEMBL4266240 0.59 CLK4 (0.43) —
SCHEMBL12907412 0.58 BRD4 (0.46) BRD4PTGS2FFAR4CAMKK2SCN9A
SCHEMBL12907425 0.58 CHEK1 (0.48) BRD4PTGS2FFAR4CAMKK2SCN9A
SCHEMBL5477798 0.58 FYN (0.53) BRD4PTGS2FFAR4NCOA1NCOA3
SCHEMBL13806958 0.58 STK10 (0.45) —

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
EP-1999226-B1 NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-08-12 — — EP disclosed
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