SCHEMBL7561001

SCHEMBL7561001

C[C@@H](NCC(=O)OC(C)(C)C)[C@H](CCc1ccccc1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
MMP12 P39900 1/20 0.39
ACACB O00763 4/20 0.39
ACACA Q13085 3/20 0.39
NPY5R Q15761 1/20 0.38
FFAR1 O14842 1/20 0.38
PPARG P37231 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL7561384 0.89 ALDH1A1 (0.43) MMP13MMP12ACACBACACANPY5R
SCHEMBL7561981 0.86 SMN1; SMN2 (0.47) MMP13CTSSCTSKMMP12ACACB
SCHEMBL7561017 0.86 SMN1; SMN2 (0.45) MMP13MMP12PPARGALDH1A1HTT
SCHEMBL7561006 0.81 SMN1; SMN2 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL7563137 0.80 PTGS1 (0.45) MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL7561206 0.80 PTGS1 (0.45) MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL2474380 0.78 ALDH1A1 (0.52) CTSSCTSKALDH1A1MEN1HTT
SCHEMBL7567148 0.76 NPC1 (0.38) PPARGALDH1A1HTTSMN1; SMN2HPGD
SCHEMBL7562938 0.74 MMP12 (0.48) MMP13MMP12ACACBACACANPY5R
SCHEMBL7568124 0.74 MMP12 (0.48) MMP13MMP12ACACBACACANPY5R

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