SCHEMBL29134059

SCHEMBL29134059

Brc1c(OCc2ccccc2)ccc2cc(C3CCCCC3)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
SLC6A4 P31645 2/20 0.39
PRMT5 O14744 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
SGMS2 Q8NHU3 1/20 0.38
RAB9A P51151 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HTR1A P08908 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL29134064 0.94 MRGPRX4 (0.45) MRGPRX4PDE4APDE4BPDE4CPDE4D
SCHEMBL6722906 0.75 ACMSD (0.48) MRGPRX4PDE4APDE4BPDE4CPDE4D
SCHEMBL30822036 0.74 RAB9A (0.60) PRMT5MEN1KMT2ARAB9ARXFP1
SCHEMBL5654886 0.74 RAB9A (0.60) PRMT5MEN1KMT2ARAB9ARXFP1
SCHEMBL1359254 0.74 MAOB (0.50) HTR1A
SCHEMBL2095329 0.73 IGF1R (0.47) MRGPRX4PDE4APDE4BPDE4CPDE4D
SCHEMBL2095326 0.73 PDE4B (0.47) MRGPRX4PDE4APDE4BPDE4CPDE4D
SCHEMBL5249481 0.70 HRH3 (0.60) MRGPRX4KMT2ARAB9ASLC6A2SLC6A3
SCHEMBL12370684 0.70 KMT2A (0.49) SLC6A4MEN1KMT2ARAB9ARXFP1
SCHEMBL2565811 0.70 PTGDR (0.61) SLC6A4ALOX5APFEN1RAB9AHTR1A

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-116988078-A Metal catalyzed asymmetric coupling method promoted by electrochemical reduction 中国科学院上海有机化学研究所 2023-11-03 CN disclosed