SCHEMBL8541123

SCHEMBL8541123

CCCC(CC)(C(N)=O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
NFKB1 P19838 1/20 0.34
ADRA1A P35348 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FDPS P14324 1/20 0.32
EPHX1 P07099 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL1241898 0.88 ALOX15 (0.31)
SCHEMBL29184106 0.86 ALDH1A1 (0.33) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL28399900 0.84 FDPS (0.30) FDPS
SCHEMBL13308357 0.78
SCHEMBL25288074 0.74 LMNA (0.38) LMNAHSD17B10TSHRCYP3A4NFKB1
SCHEMBL20298943 0.74
SCHEMBL13934054 0.74 FDPS (0.30) FDPS
SCHEMBL5445954 0.74 CA2 (0.33) EPHX1CA1CA2
SCHEMBL9009536 0.73
SCHEMBL11589986 0.72 CES2 (0.37) HSD17B10TSHRTDP1

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-1999059989-A1 PROCESS FOR THE PREPARATION OF A BENZO FUSED HETEROCYCLO SULFONYL HALIDE INTERMEDIATE G.D. SEARLE & CO. (US) 1999-11-25 WO disclosed