SCHEMBL28550889

SCHEMBL28550889

Cc1cc2c(c(C)c1C)C1(c3ccccc3Oc3ccccc31)c1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
MAPT P10636 4/20 0.32
LMNA P02545 4/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HTT P42858 2/20 0.32
POLB P06746 1/20 0.32
ALOX12 P18054 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
SMAD3 P84022 1/20 0.32
PRMT1 Q99873 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
FTO Q9C0B1 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL31398851 0.85 ESR1 (0.34) ESR1ESR2
SCHEMBL23802657 0.85 ESR1 (0.34) ESR1ESR2
SCHEMBL24969145 0.81 ESR1 (0.39) ESR1ESR2MAPTLMNAMEN1
SCHEMBL24969320 0.81 ESR1 (0.39) ESR1ESR2MAPTLMNAMEN1
SCHEMBL8984822 0.80 ESR1 (0.36) ESR1ESR2MAPTLMNAMEN1
SCHEMBL8984628 0.79 ESR1 (0.34) ESR1ESR2NPSR1POLBCYP2C19
SCHEMBL8984630 0.78 ESR1 (0.34) ESR1ESR2MAPTLMNAMEN1
SCHEMBL8984819 0.78 ESR1 (0.37) ESR1ESR2MAPTLMNAMEN1
SCHEMBL5998195 0.76 KDM4E (0.43) ESR1ESR2MAPTLMNAMEN1
SCHEMBL29403370 0.76 KDM4E (0.43) ESR1ESR2MAPTLMNAMEN1

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
CN-112585775-A Organic light emitting device 株式会社LG化学 2021-03-30 CN disclosed