SCHEMBL692776

SCHEMBL692776

CCCCOC(=O)C12CC3CC(C1)CC(C(=O)OCCCC)(C3)C2

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.63
EPHX2 P34913 3/20 0.47
ALDH1A1 P00352 3/20 0.43
RXFP1 Q9HBX9 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL13084353 0.94 NPSR1 (0.60) NPSR1EPHX2ALDH1A1
SCHEMBL691868 0.94 NPSR1 (0.60) NPSR1EPHX2ALDH1A1
SCHEMBL7459150 0.91 NPSR1 (0.57) NPSR1EPHX2ALDH1A1L3MBTL1
SCHEMBL6452242 0.90 EPHX2 (0.52) NPSR1EPHX2ALDH1A1MEN1KMT2A
SCHEMBL692491 0.90 NPSR1 (0.67) NPSR1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL25713906 0.88 NPSR1 (0.55) NPSR1EPHX2ALDH1A1RXFP1
SCHEMBL29135724 0.88 NPSR1 (0.55) NPSR1EPHX2ALDH1A1L3MBTL1
SCHEMBL15858285 0.86 NPSR1 (0.49) NPSR1EPHX2ALDH1A1RXFP1L3MBTL1
SCHEMBL25776354 0.85 EPHX2 (0.58) NPSR1EPHX2ALDH1A1MEN1KMT2A
SCHEMBL4454964 0.84 NPSR1 (0.46) NPSR1EPHX2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421904-B1 PROCATALYST COMPOSITION WITH ADAMANTANE AND METHOD GRACE W R & CO (US) 2015-06-24 EP disclosed
US-8288304-B2 Procatalyst composition with adamantane and method DOW GLOBAL TECHNOLOGIES LLC (US) 2012-10-16 US disclosed
US-8288304-B2 Procatalyst composition with adamantane and method DOW GLOBAL TECHNOLOGIES LLC (US) 2012-10-16 US disclosed
EP-2421904-A1 PROCATALYST COMPOSITION WITH ADAMANTANE AND METHOD Dow Global Technologies LLC (US) 2012-02-29 EP disclosed
WO-2010123775-A1 PROCATALYST COMPOSITION WITH ADAMANTANE AND METHOD DOW GLOBAL TECHNOLOGIES INC. (US) 2010-10-28 WO disclosed
WO-2010123775-A1 PROCATALYST COMPOSITION WITH ADAMANTANE AND METHOD DOW GLOBAL TECHNOLOGIES INC. (US) 2010-10-28 WO disclosed
US-20100273966-A1 Procatalyst Composition with Adamantane and Method W. R. GRACE & CO.-CONN. 2010-10-28 US disclosed
US-20100273966-A1 Procatalyst Composition with Adamantane and Method W. R. GRACE & CO.-CONN. 2010-10-28 US disclosed