SCHEMBL27322353

SCHEMBL27322353

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
ESR1 P03372 4/20 0.45
TLR9 Q9NR96 3/20 0.38
TLR7 Q9NYK1 3/20 0.38
TGFBR1 P36897 3/20 0.38
ACVR1 Q04771 3/20 0.38
KCNH2 Q12809 1/20 0.38
TLR8 Q9NR97 1/20 0.38
FYN P06241 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BMPR1B O00238 1/20 0.35
BMPR1A P36894 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
SCHEMBL27322491 0.94 ESR1 (0.42) EBPSIGMAR1ESR1TLR9TLR7
SCHEMBL27322490 0.93 TGFBR1 (0.38) EBPSIGMAR1ESR1TLR9TLR7
SCHEMBL27320756 0.89 ESR1 (0.57) EBPSIGMAR1ESR1FYNALDH1A1
SCHEMBL27320646 0.88 EBP (0.58) EBPSIGMAR1ESR1TLR9TLR7
SCHEMBL27320758 0.87 EBP (0.48) EBPSIGMAR1ESR1TLR9TLR7
SCHEMBL27320752 0.87 EBP (0.48) EBPSIGMAR1ESR1TLR9TLR7
SCHEMBL27322489 0.87 EBP (0.46) EBPSIGMAR1ESR1TLR9TLR7
SCHEMBL27320763 0.86 EBP (0.46) EBPSIGMAR1ESR1TLR9TLR7
SCHEMBL27321498 0.85 ESR1 (0.57) EBPSIGMAR1ESR1TLR9TLR7
SCHEMBL27321170 0.84 ESR1 (0.66) EBPSIGMAR1ESR1ALDH1A1KDM4E

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