SCHEMBL5693012

SCHEMBL5693012

C=C(C)C(=O)OC1(O)C2CC3CC(C2)CC1(C)C3

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL3182594 0.83 GLA (0.33) SCN1ASCN2ASCN3AALDH1A1
SCHEMBL677901 0.78 GLA (0.32) SCN1ASCN2ASCN3AALDH1A1
SCHEMBL13244778 0.77 ALDH1A1 (0.34) SCN1ASCN2ASCN3AALDH1A1
SCHEMBL364323 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL3182587 0.76 SCN1A (0.32) SCN1ASCN2ASCN3AALDH1A1
SCHEMBL18253577 0.75 NAAA (0.31) ALDH1A1
SCHEMBL3856231 0.75 GLA (0.32) SCN1ASCN2ASCN3AALDH1A1
SCHEMBL1143590 0.75 HSD11B1 (0.33) ALDH1A1
SCHEMBL44331 0.75 CYP17A1 (0.40) ALDH1A1
SCHEMBL4954027 0.75 ALDH1A1 (0.35) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656590-A2 NOVEL PHOTOSENSITIVE BILAYER COMPOSITION FujiFilm Electronic Materials USA, Inc. (US) 2006-05-17 EP disclosed
US-6929897-B2 Photosensitive bilayer composition ARCH SPECIALTY CHEMICALS, INC. (US) 2005-08-16 US disclosed
WO-2005022257-A2 NOVEL PHOTOSENSITIVE BILAYER COMPOSITION ARCH SPECIALTY CHEMICALS, INC. (US) 2005-03-10 WO disclosed
US-20050042542-A1 Novel photosensitive bilayer composition ARCH SPECIALTY CHEMICALS, INC. 2005-02-24 US disclosed