SCHEMBL5318552

SCHEMBL5318552

O=C(O)C1(C2C3CC4CC(C3)CC2C4)CC2C=CC1C2

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
EPHX2 P34913 1/20 0.31
HSD11B1 P28845 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
SCHEMBL2190675 0.82 CYP2D6 (0.33) CYP2D6CYP2C19EPHX2HSD11B1
SCHEMBL9079943 0.71 CYP2D6 (0.37) CYP2D6CYP2C19
SCHEMBL6429482 0.71 CYP2D6 (0.37) CYP2D6CYP2C19
SCHEMBL10388136 0.71 KDM4E (0.34) CYP2D6CYP2C19EPHX2
SCHEMBL7714730 0.68
SCHEMBL7712386 0.67
SCHEMBL5318549 0.67 CYP2D6 (0.32) CYP2D6CYP2C19EPHX2
SCHEMBL8732519 0.66 CYP2D6 (0.36) CYP2D6CYP2C19
SCHEMBL7201976 0.66 HSD11B1 (0.32) CYP2D6CYP2C19HSD11B1
SCHEMBL12191694 0.65 P2RX7 (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007100223-A1 NORBORNENE-ESTER POLYMER CONTAINING BULKY SUBSTITUENTS KOLON INDUSTRIES, INC. (KR) 2007-09-07 WO disclosed