SCHEMBL27320751

SCHEMBL27320751

COc1ccc2c(c1)CCC(c1ccccc1O)=C2c1ccc(N2CCN(C(C)C)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.47
EBP Q15125 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
FYN P06241 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.39
TLR9 Q9NR96 2/20 0.38
TLR7 Q9NYK1 2/20 0.38
TGFBR1 P36897 2/20 0.38
ACVR1 Q04771 2/20 0.38
KCNH2 Q12809 1/20 0.38
TLR8 Q9NR97 1/20 0.38
F10 P00742 1/20 0.37
KLKB1 P03952 1/20 0.37
ALK Q9UM73 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL27320911 0.93 FYN (0.41) ESR1EBPSIGMAR1FYNKMT2A
SCHEMBL27320646 0.88 EBP (0.58) ESR1EBPSIGMAR1KMT2AMEN1
SCHEMBL27321301 0.88 KDM4E (0.48) ESR1FYNKMT2AMEN1MAPT
SCHEMBL27320756 0.87 ESR1 (0.57) ESR1EBPSIGMAR1FYNMAPT
SCHEMBL27320758 0.83 EBP (0.48) ESR1EBPSIGMAR1FYNKMT2A
SCHEMBL27320752 0.83 EBP (0.48) ESR1EBPSIGMAR1KMT2AMEN1
SCHEMBL27321498 0.83 ESR1 (0.57) ESR1EBPSIGMAR1FYNKMT2A
SCHEMBL27322353 0.83 EBP (0.46) ESR1EBPSIGMAR1FYNKMT2A
SCHEMBL27320760 0.83 EBP (0.42) ESR1EBPSIGMAR1FYNKMT2A
SCHEMBL30912397 0.83 ESR1 (0.64) ESR1EBPSIGMAR1KMT2AMEN1

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