SCHEMBL8663606

SCHEMBL8663606

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

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
PPARG P37231 3/20 0.45
PPARA Q07869 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 3/20 0.41
GNRHR P30968 1/20 0.40
POLB P06746 1/20 0.40
PRMT1 Q99873 1/20 0.39
LMNA P02545 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
SCHEMBL28370017 0.82 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL13832427 0.81 ALDH1A1 (0.69) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL7447972 0.80 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL8477824 0.77 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL709158 0.77 POLB (0.50) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL10788442 0.77 TTR (0.49) ALDH1A1PPARAMEN1KMT2AMAPT
SCHEMBL395184 0.76 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AMAPTPRMT1
SCHEMBL5910982 0.76 ALDH3A1 (0.47) ALDH1A1PPARAMEN1KMT2AMAPT
SCHEMBL5910980 0.76 ALDH3A1 (0.47) ALDH1A1PPARAMEN1KMT2AMAPT
SCHEMBL7447401 0.76 ALDH1A1 (0.44) ALDH1A1PPARAMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5854245-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-29 US disclosed