SCHEMBL23436508

SCHEMBL23436508

c1ccc(COc2ccc(OCC3CC3)cc2OCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.49
FFAR1 O14842 4/20 0.48
PPARD Q03181 4/20 0.48
MAOB P27338 1/20 0.48
CYP2D6 P10635 1/20 0.47
HRH1 P35367 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
TOP1 P11387 1/20 0.47
ALOX5 P09917 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR3A P46098 1/20 0.46
KCNH2 Q12809 1/20 0.46
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44

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
SCHEMBL23877336 0.91 C5AR1 (0.47) C5AR1FFAR1PPARDMAOBCYP2D6
SCHEMBL11247509 0.84 LMNA (0.58) MAOBSLC6A2
SCHEMBL31167023 0.84 PTPN1 (0.49) FFAR1PPARDMAOBCYP2D6HRH1
SCHEMBL13412635 0.84 ALOX5 (0.63) MAOBTOP1ALOX5SLC6A2
SCHEMBL5348078 0.83 MAOB (0.60) FFAR1PPARDMAOBCYP2D6HRH1
SCHEMBL8730031 0.82 TDP1 (0.57) MAOBTOP1ALOX5
SCHEMBL8730039 0.82 TDP1 (0.57) MAOBTOP1ALOX5
SCHEMBL21657603 0.82 TDP1 (0.57) MAOBTOP1ALOX5
SCHEMBL30628474 0.82 TDP1 (0.57) MAOBTOP1ALOX5
SCHEMBL29721135 0.82 TDP1 (0.57) MAOBTOP1ALOX5

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-3828163-A1 NOVEL P62 LIGAND COMPOUND, AND COMPOSITION FOR PREVENTING, ALLEVIATING, OR TREATING PROTEINOPATHIES COMPRISING SAME Protech Co., Ltd. (KR) 2021-06-02 EP disclosed