SCHEMBL25567802

SCHEMBL25567802

Clc1cccc2oc3cc(-c4ccccc4-c4cccc5oc6ccccc6c45)ccc3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.45
TTR P02766 2/20 0.40
BACE1 P56817 1/20 0.40
ALOX5 P09917 1/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
PRKDC P78527 1/20 0.37
NMUR2 Q9GZQ4 1/20 0.36
HCRTR1 O43613 1/20 0.36
PTGS2 P35354 1/20 0.36
TNKS O95271 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL25567903 0.89 ALOX5 (0.48) AHRTTRBACE1ALOX5MEN1
SCHEMBL25567505 0.88 TTR (0.45) AHRTTRBACE1ALOX5MEN1
SCHEMBL26195566 0.87 AHR (0.64) AHRALOX5MEN1KMT2AKDM4E
SCHEMBL23823894 0.85 AHR (0.44) AHRTTRBACE1ALOX5MEN1
SCHEMBL27334392 0.85 AHR (0.51) AHRTTRBACE1ALOX5MEN1
SCHEMBL17229079 0.83 ALOX5 (0.44) AHRALOX5MEN1KMT2AKDM4E
SCHEMBL31385559 0.83 TTR (0.43) AHRTTRBACE1MEN1KMT2A
SCHEMBL21037633 0.82 AHR (0.58) AHRBACE1ALOX5MEN1KMT2A
SCHEMBL27334125 0.81 AHR (0.47) AHRTTRBACE1MEN1KMT2A
SCHEMBL24097581 0.81 AHR (0.68) AHRBACE1ALOX5MEN1KMT2A

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-2023096209-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2023-06-01 WO disclosed