SCHEMBL8327809

SCHEMBL8327809

CC(C)(C)CCN(Cc1cc(C(=O)O)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
TSHR P16473 2/20 0.43
CASP6 P55212 1/20 0.43
HCAR3 P49019 8/20 0.42
SNCA P37840 2/20 0.40
LMNA P02545 1/20 0.38
LTA4H P09960 1/20 0.37

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
SCHEMBL8327806 1.00 POLB (0.44) POLBTSHRCASP6HCAR3SNCA
SCHEMBL8329755 0.91 KMT2A (0.40) POLBSNCALMNA
SCHEMBL6944145 0.88 HCAR3 (0.47) POLBTSHRCASP6HCAR3SNCA
SCHEMBL6944148 0.88 HCAR3 (0.47) POLBTSHRCASP6HCAR3SNCA
SCHEMBL6378384 0.86 ALDH1A1 (0.48) POLBTSHRCASP6HCAR3SNCA
SCHEMBL6377823 0.86 ALDH1A1 (0.48) POLBTSHRCASP6HCAR3SNCA
SCHEMBL8327873 0.85 POLB (0.44) POLBTSHRCASP6HCAR3SNCA
SCHEMBL8327876 0.85 POLB (0.44) POLBTSHRCASP6HCAR3SNCA
SCHEMBL8326453 0.84 CDC25B (0.37) LMNA
SCHEMBL6950389 0.84 POLB (0.49) POLBTSHRCASP6HCAR3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed