SCHEMBL6947602

SCHEMBL6947602

COCCN(Cc1cc(C(=O)O)ccc1N)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.43
HDAC1 Q13547 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
MLYCD O95822 1/20 0.37
CDC25B P30305 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 3/20 0.35
HDAC6 Q9UBN7 1/20 0.35
GAA P10253 2/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SSTR4 P31391 1/20 0.34
THRB P10828 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6946720 0.91 ALOX15 (0.39) PTGER4HDAC1HDAC3HDAC2NCOR2
SCHEMBL8326453 0.87 CDC25B (0.37) PTGER4HDAC1HDAC3HDAC2NCOR2
SCHEMBL12800752 0.85 EPHX2 (0.45) PTGER4HDAC1HDAC3HDAC2NCOR2
SCHEMBL6944145 0.84 HCAR3 (0.47) ALDH1A1MAPTHTT
SCHEMBL6944148 0.84 HCAR3 (0.47) ALDH1A1MAPTHTT
SCHEMBL6376540 0.84 HDAC1 (0.43) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL28609267 0.84 HDAC3 (0.38) PTGER4HDAC1HDAC3HDAC2NCOR2
SCHEMBL4656671 0.83 MLYCD (0.42) HDAC1HDAC3HDAC2NCOR2MLYCD
SCHEMBL8326411 0.82 LPAR1 (0.38) PTGER4HDAC1HDAC3HDAC2NCOR2
SCHEMBL6941296 0.81 CDC25B (0.42) PTGER4HDAC1HDAC3HDAC2NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946180-A4 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORP (US) 2003-07-23 EP disclosed
EP-0767792-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
US-5977101-A Benzimidazoles/Imidazoles Linked to a Fibrinogen Receptor Antagonist Template Having Vitronectin Receptor Antagonist Activity SMITHKLINE BEECHAM CORPORATION (US) 1999-11-02 US disclosed
EP-0946180-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1999-10-06 EP disclosed
WO-1998015278-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1998-04-16 WO disclosed
EP-0767792-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-04-16 EP disclosed
WO-1996000730-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 WO disclosed