SCHEMBL30912397

SCHEMBL30912397

COc1ccc2c(c1)CCCC(c1ccccc1)=C2c1ccc(N2CCN(C(C)C)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.64
EBP Q15125 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TGFBR1 P36897 1/20 0.39
ACVR1 Q04771 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL27321052 1.00 ESR1 (0.64) ESR1EBPSIGMAR1ALDH1A1POLB
SCHEMBL27320646 0.94 EBP (0.58) ESR1EBPSIGMAR1ALDH1A1MAPT
SCHEMBL30912386 0.91 ESR1 (0.53) ESR1EBPSIGMAR1ALDH1A1POLB
SCHEMBL27321177 0.91 ESR1 (0.53) ESR1EBPSIGMAR1ALDH1A1POLB
SCHEMBL27321170 0.91 ESR1 (0.66) ESR1EBPSIGMAR1ALDH1A1MAPT
SCHEMBL27321787 0.86 ESR1 (0.61) ESR1ALDH1A1MAPT
SCHEMBL27320758 0.85 EBP (0.48) ESR1EBPSIGMAR1ALDH1A1MAPT
SCHEMBL27320756 0.85 ESR1 (0.57) ESR1EBPSIGMAR1ALDH1A1MAPT
SCHEMBL27320752 0.85 EBP (0.48) ESR1EBPSIGMAR1ALDH1A1MAPT
SCHEMBL30912382 0.84 ESR1 (0.44) ESR1EBPSIGMAR1MAPTMEN1

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 claimed