SCHEMBL31329449

SCHEMBL31329449

Cc1cc(C)cc([C@](C)(NC(=O)OCC(Cl)(Cl)Cl)C(=O)O)c1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.32
KDM4E B2RXH2 2/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
RECQL P46063 1/20 0.30
MMP8 P22894 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL31329448 0.83 CYP1A2 (0.40) KDM4EALDH1A1MEN1KMT2ARECQL
SCHEMBL31329447 0.76 PTGS1 (0.38) CYP2C9
SCHEMBL31329451 0.67 CXCR2 (0.39) KDM4EALDH1A1MEN1KMT2A
SCHEMBL4845273 0.66 FYN (0.47) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL4845283 0.66 FYN (0.47) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL30678992 0.66 MEN1 (0.36) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL968360 0.66 CHRNB2 (0.43) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL6154384 0.65 MEN1 (0.55) ALDH1A1POLBMEN1KMT2A
SCHEMBL6154376 0.65 MEN1 (0.55) ALDH1A1POLBMEN1KMT2A
SCHEMBL6197998 0.63 LMNA (0.49) ALDH1A1CYP2C9MEN1KMT2A

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