SCHEMBL23449986

SCHEMBL23449986

CC1(C)OB(c2c(Cl)c3ccccc3c3oc4ccccc4c23)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.38
MAOA P21397 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
PGR P06401 1/20 0.33
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
CSF1R P07333 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALPI P09923 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 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
SCHEMBL32667441 0.79 AHR (0.42) AHRMAOAMEN1KMT2ACYP2C19
SCHEMBL25930828 0.76 LPL (0.39) AHRMAOAMEN1KMT2ACYP2C19
SCHEMBL30311528 0.76 LPL (0.39) AHRMAOAMEN1KMT2ACYP2C19
SCHEMBL32667541 0.76 AHR (0.45) AHRMAOAMEN1KMT2ACYP2C19
SCHEMBL20465329 0.75 MEN1 (0.39) MAOAMEN1KMT2ACYP2C19LPL
SCHEMBL21975358 0.75 MEN1 (0.39) MAOAMEN1KMT2ACYP2C19LPL
SCHEMBL31667851 0.75 AHR (0.38) AHRMAOAMEN1KMT2ACYP2C19
SCHEMBL21662931 0.75 AHR (0.38) AHRMAOAMEN1KMT2ACYP2C19
SCHEMBL29501283 0.73 LPL (0.39) AHRMAOAMEN1KMT2ACYP2C19
SCHEMBL28812100 0.73 LPL (0.39) AHRMAOAMEN1KMT2ACYP2C19

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
EP-3828180-A1 COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG Chem, Ltd. (KR) 2021-06-02 EP disclosed