SCHEMBL31332705

SCHEMBL31332705

COC(C)(CNC(=O)NCC1CCCC1)c1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.54
EPHX2 P34913 3/20 0.54
POLB P06746 1/20 0.48
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FBP1 P09467 1/20 0.45
KCNH2 Q12809 1/20 0.44
CACNA1I Q9P0X4 1/20 0.44
CCR1 P32246 1/20 0.42
CCR3 P51677 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
F2 P00734 1/20 0.40
CNR2 P34972 4/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL31332634 1.00 EPHX1 (0.54) EPHX1EPHX2POLBALDH1A1GAA
SCHEMBL31332799 0.96 POLB (0.53) EPHX1EPHX2POLBALDH1A1GAA
SCHEMBL31332653 0.86 EPHX2 (0.49) EPHX1EPHX2L3MBTL1MEN1KMT2A
SCHEMBL31332801 0.86 EPHX2 (0.49) EPHX1EPHX2L3MBTL1MEN1KMT2A
SCHEMBL31332613 0.85 ALDH1A1 (0.46) EPHX1EPHX2POLBALDH1A1GAA
SCHEMBL31332706 0.85 EPHX2 (0.53) EPHX1EPHX2POLBALDH1A1GAA
SCHEMBL31332620 0.79 EPHX2 (0.40) EPHX1EPHX2POLBALDH1A1CCR1
SCHEMBL31332607 0.79 EPHX2 (0.46) EPHX1EPHX2L3MBTL1MEN1KMT2A
SCHEMBL31332818 0.79 EPHX1 (0.50) EPHX1EPHX2MAPT
SCHEMBL31332732 0.78 TAAR1 (0.39) EPHX1EPHX2ALDH1A1GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709708-A1 NOVEL CARBOXAMIDE DERIVATIVES ANGELINI PHARMA S.P.A. (IT) 2026-03-18 EP disclosed
WO-2024233603-A1 NOVEL CARBOXAMIDE DERIVATIVES ICAGEN, LLC (US) 2024-11-14 WO disclosed