SCHEMBL29347992

SCHEMBL29347992

Cc1ccc(CC2CCCN(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.53
EPHX2 P34913 1/20 0.50
TP53 P04637 1/20 0.49
ACKR3 P25106 1/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
PREP P48147 1/20 0.48
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
KDM1A O60341 1/20 0.46
FEN1 P39748 1/20 0.46
BACE1 P56817 2/20 0.46
CTSD P07339 1/20 0.46
BCL9 O00512 1/20 0.46
CTNNB1 P35222 1/20 0.46
GLS O94925 1/20 0.45
ITGB1 P05556 1/20 0.45
ITGA4 P13612 1/20 0.45

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
SCHEMBL5582903 0.89 BACE1 (0.50) ACKR3KMT2AMEN1ALDH1A1MAPT
SCHEMBL22036273 0.89 MEN1 (0.53) ACKR3KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL21358915 0.89 CCR3 (0.51) ACKR3KMT2ASMN1; SMN2ALDH1A1CYP2D6
SCHEMBL4149104 0.89 CCR3 (0.51) ACKR3KMT2ASMN1; SMN2ALDH1A1CYP2D6
SCHEMBL8237687 0.89 ACKR3 (0.57) GPR119ACKR3KDM1AFEN1KAT7
SCHEMBL6214983 0.89 ACKR3 (0.57) GPR119ACKR3KDM1AFEN1KAT7
SCHEMBL15331285 0.87 BACE1 (0.46) ACKR3KMT2AMEN1ALDH1A1MAPT
SCHEMBL29136138 0.87 KMT2A (0.49) ACKR3KMT2AMEN1KDM1AFEN1
SCHEMBL13503047 0.86 GPR119 (0.54) GPR119ACKR3MAPTKDM1AKAT7
SCHEMBL16113579 0.85 GPR119 (0.61) GPR119TP53KMT2AMEN1CYP2C19

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-2024141757-A1 LSD1 MODULATORS EXSCIENTIA AI LIMITED (GB) 2024-07-04 WO disclosed