SCHEMBL25073022

SCHEMBL25073022

CC(C)(O)C(C)(C)OBc1ccc2c(c1)oc1c(-c3ccc(-c4ccccc4)cc3)cccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.44
GGPS1 O95749 1/20 0.41
PRKDC P78527 3/20 0.36
HDAC8 Q9BY41 1/20 0.35
PTGES2 Q9H7Z7 1/20 0.34
CDC14B O60729 2/20 0.33
CDC14A Q9UNH5 2/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
CYP2C19 P33261 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DYRK1A Q13627 1/20 0.31
MMP12 P39900 1/20 0.31
MMP13 P45452 1/20 0.31
PIK3CD O00329 2/20 0.30
PIK3CA P42336 2/20 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
SCHEMBL27451637 0.91 ALOX5 (0.40) ALOX5GGPS1PRKDCHDAC8PTGES2
SCHEMBL24633097 0.90 ALOX5 (0.48) ALOX5GGPS1PRKDCHDAC8PTGES2
SCHEMBL23098286 0.89 GGPS1 (0.31) ALOX5GGPS1MEN1KMT2AKDM4E
SCHEMBL21965128 0.88 ALOX5 (0.49) ALOX5GGPS1PRKDCHDAC8PTGES2
SCHEMBL20806484 0.88 ALOX5 (0.41) ALOX5GGPS1PRKDCHDAC8PTGES2
SCHEMBL26867634 0.88 ALOX5 (0.36) ALOX5GGPS1PRKDCCDC14BCDC14A
SCHEMBL27452183 0.88 ALOX5 (0.42) ALOX5GGPS1PRKDCHDAC8PTGES2
SCHEMBL22487169 0.85 ALOX5 (0.41) ALOX5GGPS1HDAC8PTGES2JAK2
SCHEMBL23018907 0.85 MMP12 (0.37) PRKDCCYP2C19MEN1KMT2AMMP12
SCHEMBL27355758 0.84 ALOX5 (0.43) ALOX5GGPS1PRKDCHDAC8PTGES2

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-2023022480-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, AND COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DEVICE 엘티소재주식회사 2023-02-23 WO disclosed