SCHEMBL5837166

SCHEMBL5837166

O=C(O)CCCC1(C(=O)O)CC2C=CC1C2

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
EPHX2 P34913 3/20 0.31
ALOX5 P09917 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL5837266 0.90 CYP2D6 (0.34) CYP2D6CYP2C19
SCHEMBL9317520 0.89 CYP2D6 (0.35) CYP2D6CYP2C19
SCHEMBL8613885 0.87 CYP2D6 (0.38) CYP2D6CYP2C19
SCHEMBL7696963 0.86 CYP2D6 (0.33) CYP2D6CYP2C19
SCHEMBL7638350 0.84 CYP2D6 (0.39) CYP2D6CYP2C19
SCHEMBL5837042 0.84 TSHR (0.33) CYP2D6CYP2C19EPHX2ALOX5
SCHEMBL5837608 0.84 TSHR (0.37) CYP2D6CYP2C19EPHX2ALOX5
SCHEMBL32688908 0.83 CYP2D6 (0.38) CYP2D6CYP2C19EPHX2ALOX5
SCHEMBL710692 0.82 CYP2D6 (0.35) CYP2D6CYP2C19
SCHEMBL32689218 0.81 CYP2D6 (0.41) CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037993-B2 Norbornene-based ring-opening polymerization polymer, product of hydrogenation of norbornene-based ring-opening polymerization polymer, and processes for producing these ZEON CORPORATION (JP) 2006-05-02 US disclosed
US-20050148746-A1 Norbornene-based ring-opening polymerization polymer, product of hydrogenation of norbornene-based ring-opening polymerization polymer, and processes for producing these ZEON CORPORATION (JP) 2005-07-07 US disclosed