SCHEMBL28875486

SCHEMBL28875486

CCCCC(CC)COC1C=Cc2cccc3cccc1c23

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
CYP3A4 P08684 5/20 0.40
CA2 P00918 1/20 0.40
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
LMNA P02545 3/20 0.34
MAPK1 P28482 2/20 0.34
TSHR P16473 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 2/20 0.30
ATM Q13315 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
SCHEMBL28602300 0.80 EYA2 (0.41) ALDH1A1CYP3A4LMNAMAPK1TSHR
SCHEMBL29187418 0.79 HTR2C (0.30)
SCHEMBL28919635 0.79 EYA2 (0.43) ALDH1A1CYP3A4LMNAMAPK1TSHR
SCHEMBL27444917 0.78 MEN1 (0.33) MEN1KMT2ATDP1
SCHEMBL27559211 0.77 MEN1 (0.33) MEN1KMT2ATDP1
SCHEMBL28022732 0.74 CA2 (0.33) ALDH1A1CYP3A4CA2PRSS1PRSS2
SCHEMBL28023396 0.74 PRSS1 (0.33) CYP3A4PRSS1PRSS2PRSS3TSHR
SCHEMBL28023439 0.74 PRSS1 (0.33) CYP3A4PRSS1PRSS2PRSS3TSHR
SCHEMBL28153675 0.74 CYP1A2 (0.38) LMNAMAPK1TSHRMEN1KMT2A
SCHEMBL27861732 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110520407-B Compound, coating composition comprising the same, organic light emitting diode using the same, and method for preparing the same 株式会社LG化学 2023-06-06 CN disclosed
CN-110121493-A Coating composition, organic light emitting diode using the same, and method of manufacturing the same 株式会社LG化学 2019-08-13 CN disclosed