SCHEMBL26061311

SCHEMBL26061311

CC(C)(CN)COCC(C)(C)CCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 3/20 0.37
THRB P10828 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP1A2 P05177 2/20 0.37
MEN1 O00255 2/20 0.37
NAALAD2 Q9Y3Q0 1/20 0.36
CYP2D6 P10635 2/20 0.33
ESR1 P03372 1/20 0.33
CYP3A4 P08684 1/20 0.33
ESR2 Q92731 1/20 0.33
TBXAS1 P24557 2/20 0.33
LMNA P02545 3/20 0.32
HSD17B10 Q99714 2/20 0.32
FFAR1 O14842 1/20 0.32
CPT2 P23786 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GABRR1 P24046 2/20 0.32
TSHR P16473 2/20 0.32
BLM P54132 2/20 0.32

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
SCHEMBL1768629 0.83 KDM4E (0.56) KDM4EALDH1A1THRBKMT2ACYP1A2
SCHEMBL20057231 0.83 KDM4E (0.44) KDM4EALDH1A1THRBKMT2ACYP1A2
SCHEMBL28989029 0.80 THRB (0.34) KDM4EALDH1A1THRBKMT2ACYP1A2
SCHEMBL17232567 0.80 KDM4E (0.65) KDM4EALDH1A1CYP2D6LMNAHSD17B10
SCHEMBL18193647 0.78 KDM4E (0.45) KDM4EALDH1A1CYP2D6LMNAHSD17B10
SCHEMBL10049414 0.76 CYP2D6 (0.56) KDM4ECYP2D6TSHR
SCHEMBL8481699 0.75 NAALAD2 (0.41) KDM4EALDH1A1THRBKMT2ACYP1A2
SCHEMBL15834444 0.74 KDM4E (0.52) KDM4EALDH1A1CYP2D6LMNAHSD17B10
SCHEMBL21901462 0.74 KDM4E (0.40) KDM4ECYP2D6LMNAHSD17B10
SCHEMBL11529406 0.73 NAALAD2 (0.50) KDM4EALDH1A1THRBKMT2ACYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023161877-A1 CYTOTOXICITY TARGETING CHIMERAS FOR INTEGRIN AVB6-EXPRESSING CELLS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-08-31 WO disclosed
WO-2023161875-A1 CYTOTOXICITY TARGETING CHIMERAS FOR PROSTATE SPECIFIC MEMBRANE ANTIGEN-EXPRESSING CELLS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-08-31 WO disclosed
WO-2023161874-A1 CYTOTOXICITY TARGETING CHIMERAS FOR C-C CHEMOKINE RECEPTOR 2-EXPRESSING CELLS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-08-31 WO disclosed
WO-2023161876-A1 CYTOTOXICITY TARGETING CHIMERAS FOR CXCR3-EXPRESSING CELLS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-08-31 WO disclosed