SCHEMBL7739762

SCHEMBL7739762

CC(=O)C1CC(c2ccc(O)c(O)c2)=CCN1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
QDPR P09417 7/20 0.47
MAPT P10636 2/20 0.38
APP P05067 3/20 0.36
ALOX5 P09917 3/20 0.33
F2 P00734 1/20 0.32
ACMSD Q8TDX5 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PPM1B O75688 1/20 0.31

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
SCHEMBL7747172 0.80 QDPR (0.53) QDPRMAPTAPPALOX5
SCHEMBL14320589 0.79 F2 (0.38) F2
SCHEMBL6646658 0.69 TSHR (0.35) F2
SCHEMBL10827686 0.66 QDPR (0.69) QDPRAPPALOX5
Hydrochloric Acid SCHEMBL10353907 0.65 QDPR (0.67) QDPRAPPALOX5
SCHEMBL7744628 0.64 QDPR (1.00) QDPRAPP
SCHEMBL31367896 0.64 QDPR (1.00) QDPRAPP
SCHEMBL7739767 0.61 QDPR (1.00) QDPRMAPTALDH1A1KMT2A
SCHEMBL16581461 0.60 QDPR (0.46) QDPRMAPTAPPALOX5ACMSD
SCHEMBL338028 0.59 APP (1.00) QDPRMAPTAPPALOX5

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