SCHEMBL15087749

SCHEMBL15087749

C[C@H](O)CNC(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.59
MMP1 P03956 1/20 0.58
MAPK14 Q16539 4/20 0.58
MMP2 P08253 3/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
LMNA P02545 2/20 0.55
CYP3A4 P08684 1/20 0.55
HTT P42858 1/20 0.55
MMP13 P45452 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ALDH1A1 P00352 2/20 0.53
EPHX2 P34913 1/20 0.53
PPARG P37231 1/20 0.53
PPARA Q07869 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52
HDAC3 O15379 1/20 0.51
NAMPT P43490 2/20 0.51

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
SCHEMBL8738314 0.89 HPGD (0.66) HPGDMMP1MAPK14MMP2CA12
SCHEMBL3377096 0.85 NPC1 (0.66) HPGDLMNASMN1; SMN2ALDH1A1EPHX2
SCHEMBL8507006 0.85 NPC1 (0.66) HPGDLMNASMN1; SMN2ALDH1A1EPHX2
SCHEMBL8506869 0.85 NPC1 (0.66) HPGDLMNASMN1; SMN2ALDH1A1EPHX2
SCHEMBL5856056 0.83 ALDH1A1 (0.68) HPGDCA1CA2LMNASMN1; SMN2
SCHEMBL15090036 0.83 NPC1 (0.65) HPGDMMP13SMN1; SMN2ALDH1A1EPHX2
SCHEMBL15087731 0.83 NPC1 (0.65) HPGDMMP13SMN1; SMN2ALDH1A1EPHX2
SCHEMBL16373032 0.83 NPC1 (0.65) HPGDMMP13SMN1; SMN2ALDH1A1EPHX2
SCHEMBL19113064 0.81 HPGD (0.55) HPGDMMP1MAPK14MMP2CA12
SCHEMBL13754242 0.81 HPGD (0.66) HPGDMMP1MAPK14MMP2CA12

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
EP-2610263-A1 Sialic acid dimers Brossmer, Reinhard (DE) 2013-07-03 EP disclosed