SCHEMBL27320760

SCHEMBL27320760

COc1ccc2c(c1)CCC(c1ccc(F)cc1F)=C2c1ccc(N2CCN(C(C)C)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
MAP4K1 Q92918 1/20 0.41
MAPK14 Q16539 3/20 0.40
ESR1 P03372 2/20 0.39
ACVR1 Q04771 3/20 0.38
TGFBR1 P36897 2/20 0.38
TLR9 Q9NR96 2/20 0.38
TLR7 Q9NYK1 2/20 0.38
KCNH2 Q12809 1/20 0.38
BMPR1B O00238 1/20 0.38
BMPR1A P36894 1/20 0.38
ACVR1B P36896 1/20 0.38
ACVRL1 P37023 1/20 0.38
TNIK Q9UKE5 1/20 0.38
TLR8 Q9NR97 1/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL27321026 0.94 MAPK14 (0.41) EBPSIGMAR1MAP4K1MAPK14ESR1
SCHEMBL27320752 0.91 EBP (0.48) EBPSIGMAR1ESR1ACVR1TGFBR1
SCHEMBL27320885 0.91 EBP (0.41) EBPSIGMAR1MAP4K1ESR1ACVR1
SCHEMBL27320767 0.91 EBP (0.41) EBPSIGMAR1MAP4K1MAPK14ESR1
SCHEMBL27320889 0.89 EBP (0.42) EBPSIGMAR1MAP4K1MAPK14ESR1
SCHEMBL27321771 0.87 KDM4E (0.46) ESR1MAPTKDM4EALDH1A1MEN1
SCHEMBL30912386 0.86 ESR1 (0.53) EBPSIGMAR1ESR1ACVR1TGFBR1
SCHEMBL27321177 0.86 ESR1 (0.53) EBPSIGMAR1ESR1ACVR1TGFBR1
SCHEMBL27321046 0.85 MAP4K1 (0.38) EBPSIGMAR1MAP4K1MAPK14ESR1
SCHEMBL27321038 0.84 MAPK14 (0.41) EBPSIGMAR1MAP4K1MAPK14ESR1

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