SCHEMBL3632044

SCHEMBL3632044

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.32
ALDH2 P05091 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP8 P22894 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
EYA2 O00167 1/20 0.31
APP P05067 1/20 0.31
ACE P12821 1/20 0.31
FFAR3 O14843 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CHRM2 P08172 1/20 0.30
ADRA2A P08913 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 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
SCHEMBL27932229 0.87 LMNA (0.42) LMNAALDH1A1ALDH2CA12CA1
SCHEMBL17666073 0.81 LMNA (0.33) LMNAALDH1A1ALDH2MMP1MMP2
SCHEMBL7600779 0.75 EGFR (0.32)
SCHEMBL8891629 0.72 LMNA (0.40) LMNAALDH1A1ALDH2CA12CA1
SCHEMBL3714284 0.70 LMNA (0.39) LMNAALDH1A1ALDH2CA12CA1
SCHEMBL5532782 0.69 LMNA (0.37) LMNAALDH1A1ALDH2CA12CA1
SCHEMBL7547953 0.69 ALDH1A1 (0.45) LMNAALDH1A1ALDH2CA12CA1
SCHEMBL20849668 0.69 LMNA (0.37) LMNAALDH1A1CA12CA1CA9
SCHEMBL13322397 0.69 TDP1 (0.36) LMNATDP1EYA2APPACE
SCHEMBL8018156 0.68 PSMB5 (0.40) LMNAALDH1A1ALDH2MMP1MMP2

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-2152405-A1 GRAFT COPOLYMER FOR CATION-EXCHANGE CHROMATOGRAPHY Merck Patent GmbH (DE) 2010-02-17 EP claimed
WO-2008145270-A1 GRAFT COPOLYMER FOR CATION-EXCHANGE CHROMATOGRAPHY MERCK PATENT GMBH (DE) 2008-12-04 WO claimed