SCHEMBL31329448

SCHEMBL31329448

C[C@@](NC(=O)OCC(Cl)(Cl)Cl)(C(=O)O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
GPR132 Q9UNW8 1/20 0.38
CYP3A4 P08684 1/20 0.38
RECQL P46063 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
KCNN4 O15554 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSH P09668 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 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
SCHEMBL31329447 0.83 PTGS1 (0.38) CTSLCTSK
SCHEMBL31329449 0.83 CNR2 (0.32) RECQLMEN1KMT2AALDH1A1KDM4E
SCHEMBL6154384 0.82 MEN1 (0.55) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL6154376 0.82 MEN1 (0.55) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL31329451 0.80 CXCR2 (0.39) CYP1A2MEN1KMT2AKCNN4CTSL
SCHEMBL6121216 0.79 KCNN4 (0.48) CYP1A2GPR132CYP3A4RECQLKMT2A
SCHEMBL8750196 0.79 KCNN4 (0.48) CYP1A2GPR132CYP3A4RECQLKMT2A
SCHEMBL8752263 0.79 KCNN4 (0.48) CYP1A2GPR132CYP3A4RECQLKMT2A
SCHEMBL1951583 0.76 CA12 (0.47) MEN1KMT2AKCNN4CYP2C19HIF1A
SCHEMBL2953752 0.76 CA12 (0.47) MEN1KMT2AKCNN4CYP2C19HIF1A

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
EP-4249470-B1 METHOD FOR PREPARING ALPHA-AMINO ACIDS PHILIPPS UNIV MARBURG (DE) 2024-11-13 EP disclosed