SCHEMBL6661517

SCHEMBL6661517

CCCCN(CC(=O)O)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA9 Q16790 2/20 0.42
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP8 P22894 1/20 0.40
KDM5A P29375 8/20 0.37
KDM4C Q9H3R0 8/20 0.37
PHF8 Q9UPP1 3/20 0.35
KDM4A O75164 2/20 0.35
AKR1B1 P15121 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALDH2 P05091 1/20 0.34
PAM P19021 2/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34

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
Ethyne SCHEMBL5410471 0.96 CA12 (0.40) CA12CA1CA9MMP1MMP2
SCHEMBL5410469 0.93 CA12 (0.38) CA12CA1CA9MMP1MMP2
SCHEMBL4346470 0.86 CA12 (0.50) CA12CA1CA9MMP1MMP2
Hydrochloric Acid SCHEMBL28209960 0.84 CA12 (0.48) CA12CA1CA9MMP1MMP2
SCHEMBL20165511 0.84 AKR1B1 (0.47) CA12CA1CA9KDM5AKDM4C
SCHEMBL13638256 0.82 CA12 (0.47) CA12CA1CA9MMP1MMP2
SCHEMBL10972241 0.82 CA12 (0.53) CA12CA1CA9MMP1MMP2
SCHEMBL5696589 0.82 CA12 (0.47) CA12CA1CA9MMP1MMP2
SCHEMBL8057883 0.81 CA12 (0.45) CA12CA1CA9MMP1MMP2
SCHEMBL11597789 0.81 CA12 (0.52) CA12CA1CA9MMP1MMP2

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-2004003651-A1 PASSIVE OPTICAL CHANNEL EQUALIZER APPARATUS, METHODS OF PASSIVE OPTICAL CHANNEL EQUALIZATION, AND SYSTEM COMPRISING SUCH AN APPARATUS INTEL CORPORATION (US) 2004-01-08 WO claimed