SCHEMBL7561384

SCHEMBL7561384

COC(=O)CN[C@H](C)[C@H](CCc1ccccc1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
PLAAT3 P53816 2/20 0.42
PLAAT5 Q96KN8 2/20 0.42
PLAAT2 Q9NWW9 2/20 0.42
PLAAT4 Q9UL19 2/20 0.42
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
ACACB O00763 4/20 0.41
ACACA Q13085 3/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
NPY5R Q15761 1/20 0.41
FFAR1 O14842 1/20 0.41
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL7561981 0.90 SMN1; SMN2 (0.47) MMP12MMP13ACACBACACANPY5R
SCHEMBL7561017 0.90 SMN1; SMN2 (0.45) ALDH1A1MMP12MMP13HTTSMN1; SMN2
SCHEMBL7561001 0.89 MMP13 (0.39) ALDH1A1MMP12MMP13ACACBACACA
SCHEMBL7561006 0.84 SMN1; SMN2 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL7567148 0.80 NPC1 (0.38) ALDH1A1HTTSMN1; SMN2HPGD
SCHEMBL7563408 0.79 NPSR1 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7563430 0.78 LMNA (0.48) MEN1HTTKMT2ASMN1; SMN2HPGD
SCHEMBL7568124 0.77 MMP12 (0.48) ALDH1A1MMP12MMP13ACACBACACA
SCHEMBL7562938 0.77 MMP12 (0.48) ALDH1A1MMP12MMP13ACACBACACA
SCHEMBL7570062 0.76 MMP12 (0.45) MMP12MMP13ACACBACACANPY5R

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882703-B1 CYCLIC AMIC ACID DERIVATIVES BANYU PHARMA CO LTD (JP) 2002-08-14 EP disclosed
US-6011174-A INHIBIT PROTEIN-FARNESYL TRANSFERASE (PFT) IN VIVO THEREBY TO SUPPRESS FUNCTION OF ONCOGENE PROTEIN RAS AND THUS PRESENT ANTITUMOR ACTIVITIES, BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-01-04 US disclosed
EP-0882703-A1 CYCLIC AMIC ACID DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP disclosed