SCHEMBL7299078

SCHEMBL7299078

CC(C)(C)ON(C=O)C(Cc1ccc(C#CCCO)cc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.39
PPARA Q07869 5/20 0.39
PPARG P37231 4/20 0.39
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 1/20 0.37
GABRA6 Q16445 1/20 0.37
GABRG1 Q8N1C3 1/20 0.37
GABRG3 Q99928 1/20 0.37
GABRQ Q9UN88 1/20 0.37
FFAR1 O14842 2/20 0.36

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
SCHEMBL22804109 0.81 SLC7A5 (0.42)
SCHEMBL28233244 0.81 CYP1A2 (0.41) PPARAPPARG
SCHEMBL7299550 0.81 PPARA (0.40) PPARAPPARG
SCHEMBL7106924 0.80 ITGB1 (0.34) PPARAITGB1
SCHEMBL7424094 0.76 ITGB3 (0.41) PPARDPPARAPPARG
SCHEMBL9308843 0.73 ITGB3 (0.58) PPARDPPARAPPARGITGB1MEN1
SCHEMBL7292750 0.72 ITGB3 (0.42) PPARAPPARGPOLBKMT2A
SCHEMBL7299073 0.72 ITGB3 (0.56) PPARDPPARAPPARGITGB1ITGA4
SCHEMBL27383827 0.70
SCHEMBL27507556 0.70 ATM (0.41) ITGA4MEN1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0478328-B1 Novel fibrinogen receptor antagonists MERCK & CO INC (US) 1996-01-10 EP claimed
EP-0478328-A1 Novel fibrinogen receptor antagonists MERCK & CO. INC. (US) 1992-04-01 EP claimed
EP-0478328-B1 Novel fibrinogen receptor antagonists MERCK & CO INC (US) 1996-01-10 EP disclosed
EP-0528586-B1 Inhibiting osteoclast-mediated bone resorption using aminoalkyl-substituted phenyl derivatives MERCK & CO INC (US) 1995-02-22 EP disclosed
US-5294616-A Anticoagulants, inhibition of fibrinogen binding to blood platelets MERCK & CO., INC. (US) 1994-03-15 US disclosed
US-5217994-A METHOD OF INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION BY ADMINISTRATION OF AMINOALKYL-SUBSTITUTED PHENYL DERIVATIVES MERCK & CO., INC. (US) 1993-06-08 US disclosed
US-5204350-A Treating osteoporosis MERCK & CO., INC. (US) 1993-04-20 US disclosed
EP-0528587-A1 Inhibiting osteoclast-mediated bone resorption using substituted phenyl derivatives MERCK & CO. INC. (US) 1993-02-24 EP disclosed
EP-0528586-A1 Inhibiting osteoclast-mediated bone resorption using aminoalkyl-substituted phenyl derivatives MERCK & CO. INC. (US) 1993-02-24 EP disclosed
EP-0478328-A1 Novel fibrinogen receptor antagonists MERCK & CO. INC. (US) 1992-04-01 EP disclosed