SCHEMBL31616

SCHEMBL31616

CC1(C)c2ccccc2-c2ccc(-c3cc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)c3)cc21

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.33
PRKDC P78527 1/20 0.31

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
SCHEMBL18086239 0.93 ALOX5 (0.35) ALOX5PRKDC
SCHEMBL15137595 0.93 ALOX5 (0.34) ALOX5PRKDC
SCHEMBL24027747 0.89 ALOX5 (0.34) ALOX5PRKDC
SCHEMBL16283054 0.89 ALOX5 (0.32) ALOX5
SCHEMBL17246556 0.87 ALOX5 (0.34) ALOX5
SCHEMBL16482495 0.86 ALOX5 (0.30) ALOX5
SCHEMBL16406806 0.85 PDK2 (0.32) ALOX5
SCHEMBL16482481 0.85 ALOX5 (0.31) ALOX5
SCHEMBL17246516 0.85 ALOX5 (0.32) ALOX5
SCHEMBL16297485 0.85 ALOX5 (0.32) ALOX5PRKDC

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
WO-2011108902-A9 COMPOUND COMPRISING AT LEAST TWO COMPOUNDS COMPRISING AT LEAST TWO FIVE-MEMBERED HETERO RINGS, AN ORGANIC ELECTRICAL ELEMENT USING THE SAME AND A TERMINAL THEREOF 덕산하이메탈(주) (KR) 2012-03-01 WO disclosed