SCHEMBL29348334

SCHEMBL29348334

Bc1cccc(C(C)C(=O)OC(C)(C)C)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.36
LMNA P02545 2/20 0.34
KMT2A Q03164 1/20 0.34
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FAAH O00519 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GABRA1 P14867 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 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
SCHEMBL29348332 0.81 HTT (0.37) APPLMNAKMT2AMAPK1AAK1
SCHEMBL14721160 0.80 ESR1 (0.42) APPLMNAKMT2AMAPK1L3MBTL1
SCHEMBL5215418 0.80 ESR1 (0.42) APPLMNAKMT2AMAPK1L3MBTL1
SCHEMBL25972307 0.76 APP (0.45) APPLMNAKMT2ATRPV1AAK1
SCHEMBL7746373 0.76 GABRA1 (0.47) APPLMNAKMT2AFAAHCA1
SCHEMBL16782681 0.75 MEN1 (0.46) LMNAKMT2ACYP1A2ALDH1A1
SCHEMBL16782680 0.75 MEN1 (0.46) LMNAKMT2ACYP1A2ALDH1A1
SCHEMBL16811751 0.74 ITGA4 (0.47) LMNAKMT2AL3MBTL1CA1CA2
SCHEMBL16410353 0.74 APP (0.37) APPLMNAKMT2ACYP1A2AAK1
SCHEMBL16811758 0.73 PARP1 (0.44) CYP1A2CYP3A4MAPT

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-2024151547-A1 TARGETED DEGRADATION OF VAV1 MONTE ROSA THERAPEUTICS, INC. (US) 2024-07-18 WO disclosed