SCHEMBL6422586

SCHEMBL6422586

CCC(C)OC(=O)c1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 13/20 0.56
TSHR P16473 2/20 0.50
CASP6 P55212 1/20 0.50
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL889774 0.81 ALDH1A1 (0.48) HCAR3TSHRLMNA
SCHEMBL19561857 0.81 MAPT (0.44) TSHRKMT2A
Hydrochloric Acid SCHEMBL11776974 0.80 TSHR (0.57) HCAR3TSHRCASP6KMT2ALMNA
SCHEMBL161836 0.79 CASP6 (0.60) HCAR3TSHRCASP6KMT2ALMNA
SCHEMBL28316244 0.79 HCAR3 (0.59) HCAR3TSHRCASP6LMNA
SCHEMBL11693770 0.79 ALDH1A1 (0.49) KMT2A
SCHEMBL11566829 0.78 CRHBP (0.60) HCAR3KMT2ALMNA
SCHEMBL10948978 0.78 CRHBP (0.57) HCAR3KMT2ALMNA
SCHEMBL11669455 0.78 TP53 (0.51) KMT2A
SCHEMBL8893106 0.77 TDP1 (0.50) HCAR3TSHRKMT2A

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-0489085-B1 RIGID-ROD POLYMERS MISSISSIPPI POLYMER TECHNOLOGI (US) 2005-12-07 EP disclosed
US-5659005-A Rigid-rod polymers MAXDEM INCORPORATED (US) 1997-08-19 US disclosed
US-5565543-A Rigid-rod polymers MAXDEM INCORPORATED (US) 1996-10-15 US disclosed
US-5227457-A Rigid-rod polymers MAXDEM INCORPORATED (US) 1993-07-13 US disclosed
EP-0489085-A4 RIGID-ROD POLYMERS MAXDEM INC (US) 1992-08-05 EP disclosed
EP-0489085-A1 RIGID-ROD POLYMERS MAXDEM INCORPORATED (US) 1992-06-10 EP disclosed
EP-0401296-A4 RIGID-ROD POLYMERS MAXDEM INC (US) 1992-03-18 EP disclosed
WO-1991002764-A1 RIGID-ROD POLYMERS MAXDEM INCORPORATED (US) 1991-03-07 WO disclosed
EP-0401296-A1 RIGID-ROD POLYMERS MAXDEM INCORPORATED (US) 1990-12-12 EP disclosed
WO-1989007617-A1 RIGID-ROD POLYMERS MAXDEM INCORPORATED (US) 1989-08-24 WO disclosed