SCHEMBL29326116

SCHEMBL29326116

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C1(C)CC2C=CC1C2

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.33
P2RX7 Q99572 1/20 0.33
CETP P11597 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL29326108 1.00 EPHX2 (0.33) EPHX2P2RX7CETPCYP2D6CYP2C19
SCHEMBL29326099 1.00 EPHX2 (0.33) EPHX2P2RX7CETPCYP2D6CYP2C19
SCHEMBL29326113 1.00 EPHX2 (0.33) EPHX2P2RX7CETPCYP2D6CYP2C19
SCHEMBL29326096 1.00 EPHX2 (0.33) EPHX2P2RX7CETPCYP2D6CYP2C19
SCHEMBL29326091 1.00 EPHX2 (0.33) EPHX2P2RX7CETPCYP2D6CYP2C19
SCHEMBL29326093 1.00 EPHX2 (0.33) EPHX2P2RX7CETPCYP2D6CYP2C19
SCHEMBL29326103 1.00 EPHX2 (0.33) EPHX2P2RX7CETPCYP2D6CYP2C19
SCHEMBL29326089 1.00 EPHX2 (0.33) EPHX2P2RX7CETPCYP2D6CYP2C19
SCHEMBL29326086 0.96 P2RX7 (0.35) P2RX7CETPCYP2D6CYP2C19ALDH1A1
SCHEMBL21593923 0.94 P2RX7 (0.36) P2RX7CETPCYP2D6CYP2C19ALDH1A1

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
US-20240239952-A1 MATERIALS FOR RING-OPENING METATHESIS POLYMERIZATION AND USES THEREOF Inkbit, LLC (US) 2024-07-18 US disclosed