SCHEMBL19803040

SCHEMBL19803040

CC1(C)OB(c2cccc3oc4c(-c5ccc6c7ccccc7c7ccccc7c6c5)cccc4c23)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.42
PRKDC P78527 1/20 0.35
LPL P06858 3/20 0.35
LIPG Q9Y5X9 3/20 0.35
GGPS1 O95749 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.31
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30
CSF1R P07333 1/20 0.30
MEN1 O00255 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 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
SCHEMBL19802978 0.90 ALOX5 (0.37) ALOX5PRKDCGGPS1
SCHEMBL20961413 0.90 ALOX5 (0.48) ALOX5PRKDCLPLLIPGGGPS1
SCHEMBL24602155 0.88 LIPG (0.40) ALOX5PRKDCLPLLIPGGGPS1
SCHEMBL23784051 0.88 LIPG (0.46) ALOX5PRKDCLPLLIPGGGPS1
SCHEMBL24601895 0.88 LIPG (0.46) ALOX5PRKDCLPLLIPGGGPS1
SCHEMBL19802463 0.88 LPL (0.36) ALOX5LPLLIPGPRMT5WDR77
SCHEMBL20962194 0.88 LPL (0.41) ALOX5PRKDCLPLLIPGGGPS1
SCHEMBL23783948 0.87 ALOX5 (0.33) ALOX5PRKDC
SCHEMBL16390271 0.86 ALOX5 (0.39) ALOX5PRKDCLPLLIPGGGPS1
SCHEMBL22146992 0.86 ALOX5 (0.40) ALOX5PRKDCLPLLIPGGGPS1

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-2018016742-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2018-01-25 WO disclosed