SCHEMBL28995693

SCHEMBL28995693

CCCC(C(N)=O)C1CCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.42
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CPN1 P15169 2/20 0.34
CPB2 Q96IY4 2/20 0.34
METAP1 P53582 1/20 0.34
DPP4 P27487 1/20 0.34
OPRM1 P35372 2/20 0.33
MME P08473 2/20 0.33
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 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
SCHEMBL4674085 0.96 EPHX1 (0.47) EPHX1CA1CA2SMN1; SMN2CPN1
SCHEMBL4281689 0.94 EPHX1 (0.50) EPHX1SMN1; SMN2
SCHEMBL4188387 0.92 CA1 (0.38) EPHX1CA1CA2SMN1; SMN2CPN1
SCHEMBL1478217 0.85 CA1 (0.46) EPHX1CA1CA2METAP1DPP4
SCHEMBL1478219 0.85 CA1 (0.46) EPHX1CA1CA2METAP1DPP4
SCHEMBL931251 0.83 EPHX1 (0.47) EPHX1CA1CA2METAP1DPP4
SCHEMBL4537552 0.82 LCK (0.42) EPHX1
SCHEMBL11010077 0.80 EPHX1 (0.44) EPHX1
SCHEMBL27719303 0.80 EPHX1 (0.44) EPHX1
SCHEMBL9245067 0.80 CA2 (0.48) EPHX1CA1CA2CPN1CPB2

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
CN-115867133-A Histone acetylation modulators for the treatment and prevention of organ injury 密歇根大学董事会 2023-03-28 CN disclosed