SCHEMBL6843635

SCHEMBL6843635

CC(N)C(C(=O)O)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.43
DPP4 P27487 8/20 0.42
ALDH1A1 P00352 2/20 0.40
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
MMP2 P08253 2/20 0.38
CA9 Q16790 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
GRM2 Q14416 1/20 0.37
SLC1A3 P43003 2/20 0.36
SLC1A2 P43004 2/20 0.36
SLC1A1 P43005 2/20 0.36
DPP7 Q9UHL4 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
SCHEMBL5322414 0.89 ALOX5 (0.39) SLC1A2SLC1A1
SCHEMBL5512591 0.83 SMN1; SMN2 (0.43) EPHX1DPP4ALDH1A1CA12CA1
SCHEMBL1716319 0.83 SMN1; SMN2 (0.43) EPHX1DPP4ALDH1A1CA12CA1
SCHEMBL5519131 0.83 SMN1; SMN2 (0.43) EPHX1DPP4ALDH1A1CA12CA1
SCHEMBL15668891 0.82 EPHX1 (0.48) EPHX1DPP4ALDH1A1SMN1; SMN2
SCHEMBL7120046 0.82 EPHX1 (0.48) EPHX1DPP4ALDH1A1SMN1; SMN2
SCHEMBL7621650 0.81 EPHX1 (0.45) EPHX1DPP4ALDH1A1GRM2SLC1A3
SCHEMBL7621655 0.81 EPHX1 (0.45) EPHX1DPP4ALDH1A1GRM2SLC1A3
SCHEMBL16586374 0.81 EPHX1 (0.40) EPHX1DPP4ALDH1A1CA12CA1
SCHEMBL10599727 0.81 EPHX1 (0.40) EPHX1DPP4ALDH1A1CA12CA1

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
US-6765114-B1 CATALYTIC HYDROGENATION OF NITRO DERIVATIVE; ECONOMICAL; SIMPLE RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2004-07-20 US claimed