SCHEMBL7562191

SCHEMBL7562191

COc1cc(C(CCc2ccccc2)C(C)N)ccc1Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.48
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
SIGMAR1 Q99720 3/20 0.41
HTR2A P28223 1/20 0.41
G6PD P11413 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39

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
SCHEMBL7564712 0.88 TTR (0.48) TTRNPSR1LMNAMAPTG6PD
SCHEMBL7562523 0.82 MMP12 (0.42)
SCHEMBL7563408 0.77 NPSR1 (0.47) TTRNPSR1LMNAMAPTMEN1
SCHEMBL7563386 0.76 NPSR1 (0.43) NPSR1LMNAMAPTMEN1POLB
SCHEMBL28103034 0.76 LMNA (0.48) NPSR1LMNAMAPTSIGMAR1HTR2A
SCHEMBL15472268 0.75 TTR (0.55) TTRNPSR1MAPTSMN1; SMN2ALDH1A1
SCHEMBL7561992 0.71 NPSR1 (0.43) NPSR1LMNAMAPTMEN1POLB
SCHEMBL5992552 0.70 ALDH1A1 (0.50) TTRNPSR1LMNAMAPTMEN1
SCHEMBL7568081 0.69 TTR (0.46) TTRNPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL13719611 0.69 TTR (0.68) TTRSIGMAR1POLBKMT2AALDH1A1

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