SCHEMBL25520641

SCHEMBL25520641

C/C=C/c1cc(CC(C)(C)C)ccn1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.33
LOX P28300 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
APLNR P35414 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
NR3C2 P08235 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
SCHEMBL22007014 0.80 NOS2 (0.50) LOXLOXL2APLNRNOS3NOS1
SCHEMBL12747271 0.74 CCR1 (0.43) ESR1LOXLOXL2NOS3NOS1
SCHEMBL10223946 0.74 ESR1 (0.40) ESR1LOXLOXL2NOS3NOS1
SCHEMBL25601944 0.73 APLNR (0.34) APLNRNOS2
SCHEMBL18867058 0.73 APLNR (0.34) APLNRNOS2
SCHEMBL14706743 0.72 AR (0.42) ESR1LOXLOXL2NOS3NOS1
SCHEMBL12775818 0.72 UHRF1 (0.46) ESR1LOXLOXL2NOS3NOS1
SCHEMBL24589235 0.71 ESR1 (0.36) ESR1LOXLOXL2NOS3NOS1
SCHEMBL2611185 0.71 LOXL2 (0.43) ESR1LOXLOXL2NOS3NOS1
SCHEMBL13028808 0.71 ESR1 (0.47) ESR1LOXLOXL2NOS3NOS1

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
US-20230172048-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE HAVING THEREOF LG DISPLAY CO., LTD. (KR) 2023-06-01 US disclosed