SCHEMBL7414787

SCHEMBL7414787

CCOOC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
KDM4E B2RXH2 1/20 0.60
LMNA P02545 1/20 0.60
PREP P48147 4/20 0.59
KLK7 P49862 1/20 0.58
KLK5 Q9Y337 1/20 0.58
NPSR1 Q6W5P4 1/20 0.56
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
FKBP1A P62942 1/20 0.55
CTRB1 P17538 1/20 0.54
GFER P55789 1/20 0.54
PRCP P42785 1/20 0.54
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL14893288 0.89 TSHR (0.64) TSHRL3MBTL1KDM4ELMNAPREP
SCHEMBL847403 0.89 TSHR (0.64) TSHRL3MBTL1KDM4ELMNAPREP
SCHEMBL16272917 0.86 FKBP1A (0.66) TSHRL3MBTL1KDM4ELMNAPREP
SCHEMBL7326760 0.86 FKBP1A (0.66) TSHRL3MBTL1KDM4ELMNAPREP
SCHEMBL8280028 0.86 FKBP1A (0.66) TSHRL3MBTL1KDM4ELMNAPREP
SCHEMBL5764209 0.86 FKBP1A (0.66) TSHRL3MBTL1KDM4ELMNAPREP
SCHEMBL5525089 0.85 PREP (0.67) TSHRL3MBTL1KDM4ELMNAPREP
SCHEMBL630112 0.85 PREP (0.67) TSHRL3MBTL1KDM4ELMNAPREP
SCHEMBL4724457 0.85 PREP (0.67) TSHRL3MBTL1KDM4ELMNAPREP
SCHEMBL19360224 0.85 TSHR (0.59) TSHRL3MBTL1KDM4ELMNAPREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6344484-B1 TREATMENT OF TUMOR GROWTH, METASTASIS, OSTEOPOROSIS, RESTENOSIS, INFLAMMATION, MACULAR DEGENERATION, DIABETIC RETINOPATHY, AND RHEUMATOID ARTHRITIS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-02-05 US claimed
EP-1159262-A1 TYROSINE ALKOXYGUANIDINES AS INTEGRIN INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-12-05 EP claimed
WO-2000047552-A1 TYROSINE ALKOXYGUANIDINES AS INTEGRIN INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO claimed
WO-1993013066-A1 CYCLIC AMIDES OF 3-AMINO-2-HYDROXY-CARBOXYLIC ACIDS AS HIV-PROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1993-07-08 WO disclosed