SCHEMBL7747172

SCHEMBL7747172

CC1CC(c2ccc(O)c(O)c2)=CCN1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
QDPR P09417 7/20 0.53
APP P05067 3/20 0.42
ALOX5 P09917 5/20 0.38
SNCA P37840 3/20 0.35
JAK3 P52333 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL7739762 0.80 QDPR (0.47) QDPRAPPALOX5MAPT
SCHEMBL4790146 0.75 NISCH (0.41) QDPRMAPT
SCHEMBL4789908 0.74 PTGS1 (0.34) QDPRMAPT
SCHEMBL4790395 0.74 SIGMAR1 (0.50)
SCHEMBL578563 0.74 HTR2C (0.50) QDPRMAPT
SCHEMBL4789903 0.72 ADRA2A (0.41) ALOX5
SCHEMBL4790265 0.72 HTR2C (0.54)
SCHEMBL5762608 0.72 HSD17B1 (0.46)
SCHEMBL10827686 0.72 QDPR (0.69) QDPRAPPALOX5SNCA
SCHEMBL4790187 0.70 CHRNB2 (0.38) MAPT

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-0730451-A4 BLOCKING UTILIZATION OF TETRAHYDROBIOPTERIN TO BLOCK INDUCTION OF NITRIC OXIDE SYNTHESIS CORNELL RES FOUNDATION INC (US) 2001-11-28 EP disclosed
EP-0730451-A1 BLOCKING UTILIZATION OF TETRAHYDROBIOPTERIN TO BLOCK INDUCTION OF NITRIC OXIDE SYNTHESIS CORNELL RESEARCH FOUNDATION, INC. (US) 1996-09-11 EP disclosed
WO-1995014468-A1 BLOCKING UTILIZATION OF TETRAHYDROBIOPTERIN TO BLOCK INDUCTION OF NITRIC OXIDE SYNTHESIS CORNELL RESEARCH FOUNDATION INC. (US) 1995-06-01 WO disclosed