SCHEMBL13253147

SCHEMBL13253147

CCNC(=O)C(C=O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.35
MCL1 Q07820 1/20 0.34
TSHR P16473 2/20 0.32
USP2 O75604 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
ACE P12821 1/20 0.31
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 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
SCHEMBL13253149 0.71 CRBN (0.33)
SCHEMBL489054 0.70 FFAR3 (0.36) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8529431 0.70 TSHR (0.41) PKMMCL1TSHRUSP2MMP1
SCHEMBL16357112 0.70 USP2 (0.37) PKMMCL1TSHRUSP2MMP1
SCHEMBL4031782 0.69
SCHEMBL13904083 0.68 TSHR (0.37) PKMTSHRUSP2MMP1MMP2
SCHEMBL3103479 0.68 PKM (0.37) PKMTSHRUSP2MMP1MMP2
SCHEMBL13412852 0.68 TSHR (0.37) PKMTSHRUSP2MMP1MMP2
SCHEMBL6367590 0.68 PKM (0.37) PKMMCL1TSHRUSP2MMP1
SCHEMBL12497824 0.67 FFAR3 (0.33) TSHRCHRM1AKR1A1CHRM3HTR2A

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-7754684-B2 Macromolecular platinum chelates ACCESS PHARMACEUTICALS, INC. (US) 2010-07-13 US disclosed