SCHEMBL27320752

SCHEMBL27320752

COc1ccc2c(c1)CCC(c1ccc(F)cc1)=C2c1ccc(N2CCN(C(C)C)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
ESR1 P03372 2/20 0.44
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TLR9 Q9NR96 2/20 0.40
TLR7 Q9NYK1 2/20 0.40
TGFBR1 P36897 2/20 0.40
ACVR1 Q04771 2/20 0.40
KCNH2 Q12809 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TLR8 Q9NR97 1/20 0.39
HTR7 P34969 1/20 0.38
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
CACNA1G O43497 1/20 0.38

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
SCHEMBL30912386 0.94 ESR1 (0.53) EBPSIGMAR1ESR1MAPTALDH1A1
SCHEMBL27321177 0.94 ESR1 (0.53) EBPSIGMAR1ESR1MAPTALDH1A1
SCHEMBL27320760 0.91 EBP (0.42) EBPSIGMAR1ESR1MAPTKDM4E
SCHEMBL27320646 0.91 EBP (0.58) EBPSIGMAR1ESR1MAPTKDM4E
SCHEMBL27320756 0.90 ESR1 (0.57) EBPSIGMAR1ESR1MAPTKDM4E
SCHEMBL27320758 0.90 EBP (0.48) EBPSIGMAR1ESR1MAPTKDM4E
SCHEMBL27320767 0.90 EBP (0.41) EBPSIGMAR1ESR1MAPTKDM4E
SCHEMBL27320763 0.88 EBP (0.46) EBPSIGMAR1ESR1MAPTKDM4E
SCHEMBL27322353 0.87 EBP (0.46) EBPSIGMAR1ESR1MAPTKDM4E
SCHEMBL27322489 0.87 EBP (0.46) EBPSIGMAR1ESR1MAPTKDM4E

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-2024112123-A1 NOVEL COMPOUND AS SELECTIVE ESTROGEN RECEPTOR MODULATOR 재단법인 대구경북첨단의료산업진흥재단 2024-05-30 WO disclosed