SCHEMBL7561981

SCHEMBL7561981

C[C@@H](NCC(=O)OCc1ccccc1)[C@H](CCc1ccccc1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
ACACB O00763 5/20 0.43
ACACA Q13085 4/20 0.42
BCHE P06276 1/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
LMNA P02545 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 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
SCHEMBL7561017 0.91 SMN1; SMN2 (0.45) SMN1; SMN2MMP12MMP13
SCHEMBL7561384 0.90 ALDH1A1 (0.43) SMN1; SMN2ACACBACACAMMP12MMP13
SCHEMBL7561001 0.86 MMP13 (0.39) SMN1; SMN2ACACBACACAMMP12MMP13
SCHEMBL7561006 0.85 SMN1; SMN2 (0.44) SMN1; SMN2
SCHEMBL7567148 0.81 NPC1 (0.38) SMN1; SMN2OPRM1
SCHEMBL7563170 0.81 NPSR1 (0.45) SMN1; SMN2ACACBACACALMNAFFAR1
SCHEMBL7563408 0.78 NPSR1 (0.47) SMN1; SMN2LMNAADRB2ADRB1CA1
SCHEMBL7568124 0.74 MMP12 (0.48) ACACBACACAMMP12MMP13LMNA
SCHEMBL7562938 0.74 MMP12 (0.48) ACACBACACAMMP12MMP13LMNA
SCHEMBL19402738 0.73 CA1 (0.61) LMNACYP1A2CYP3A4CYP2D6CYP2C19

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