SCHEMBL7561017

SCHEMBL7561017

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
F10 P00742 3/20 0.44
F2 P00734 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
PPID Q08752 1/20 0.42
LTA4H P09960 4/20 0.42
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 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
SCHEMBL7561006 0.94 SMN1; SMN2 (0.44) SMN1; SMN2F10F2NPC1RAB9A
SCHEMBL7561981 0.91 SMN1; SMN2 (0.47) SMN1; SMN2MMP12MMP13
SCHEMBL7561384 0.90 ALDH1A1 (0.43) SMN1; SMN2HPGDALDH1A1HTTMMP12
SCHEMBL7567148 0.89 NPC1 (0.38) SMN1; SMN2F10F2NPC1RAB9A
SCHEMBL7563408 0.86 NPSR1 (0.47) SMN1; SMN2ALDH1A1NPSR1
SCHEMBL7561001 0.86 MMP13 (0.39) SMN1; SMN2HPGDALDH1A1HTTPPARG
SCHEMBL7563170 0.85 NPSR1 (0.45) SMN1; SMN2F10F2NPSR1
SCHEMBL7570883 0.80 LMNA (0.46) SMN1; SMN2HPGDHTTNPSR1
SCHEMBL7567526 0.77 HRH4 (0.44) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
SCHEMBL9188639 0.75 PPID (0.52) SMN1; SMN2F10F2PPIDLTA4H

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