SCHEMBL7447401

SCHEMBL7447401

CCC(Oc1ccc(N)cc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
CYP3A4 P08684 2/20 0.44
ALOX15 P16050 2/20 0.44
TSHR P16473 2/20 0.44
RECQL P46063 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
XDH P47989 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDK1 Q15118 1/20 0.42
PPARA Q07869 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
PTPN1 P18031 1/20 0.40
PDE7A Q13946 1/20 0.39
GRM8 O00222 2/20 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
SCHEMBL10788442 0.85 TTR (0.49) ALDH1A1TSHRMAPK1TDP1XDH
SCHEMBL707380 0.83 SMN1; SMN2 (0.48) ALDH1A1RECQLMAPK1SMN1; SMN2KDM4E
SCHEMBL8383429 0.83 TTR (0.47) ALDH1A1TDP1XDHSMN1; SMN2PDK1
SCHEMBL709158 0.83 POLB (0.50) ALDH1A1CYP3A4TSHRRECQLL3MBTL1
SCHEMBL5910980 0.82 ALDH3A1 (0.47) ALDH1A1XDHSMN1; SMN2PDK1PPARA
SCHEMBL5910982 0.82 ALDH3A1 (0.47) ALDH1A1XDHSMN1; SMN2PDK1PPARA
SCHEMBL7508888 0.82 ALDH1A1 (0.51) ALDH1A1TSHRRECQLL3MBTL1TDP1
SCHEMBL10788257 0.80 SMN1; SMN2 (0.49) ALDH1A1HSD17B10L3MBTL1TDP1SMN1; SMN2
SCHEMBL706485 0.79 SMN1; SMN2 (0.44) ALDH1A1TDP1XDHSMN1; SMN2PDK1
SCHEMBL2950340 0.78 SMN1; SMN2 (0.41) ALDH1A1TDP1XDHSMN1; SMN2PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912182-A4 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS MERCK & CO INC (US) 1999-12-29 EP disclosed
US-5990107-A ADMINISTERING TO INHIBIT THE BINDING OF FIBRINOGEN TO BLOOD PLATELETS IN A MAMMAL; OR TO INHIBIT OSTEOCLAST MEDIATED BONE RESORPTION MERCK & CO., INC. (US) 1999-11-23 US disclosed
EP-0912175-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-09-08 EP disclosed
EP-0912182-A1 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS Merck & Co., Inc. (US) 1999-05-06 EP disclosed
EP-0912175-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1999-05-06 EP disclosed
US-5854245-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-29 US disclosed
WO-1998000134-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-01-08 WO disclosed
WO-1998000144-A1 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS MERCK & CO., INC. (US) 1998-01-08 WO disclosed