SCHEMBL12423599

SCHEMBL12423599

CCOC(=O)c1c(C(C)C)nc2c(c1I)C(O)CC1(CCCC1)C2

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CETP P11597 19/20 0.45

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
SCHEMBL10238046 1.00 CETP (0.45) CETP
SCHEMBL12424361 0.98 CETP (0.47) CETP
SCHEMBL10196405 0.98 CETP (0.47) CETP
SCHEMBL16258476 0.90 CETP (0.47) CETP
SCHEMBL16258377 0.88 CETP (0.49) CETP
SCHEMBL10196397 0.87 CETP (0.45) CETP
SCHEMBL12423364 0.87 CETP (0.45) CETP
SCHEMBL663410 0.85 CETP (0.49) CETP
SCHEMBL16360463 0.83 CETP (0.36) CETP
SCHEMBL10238082 0.83 CETP (0.36) CETP

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-2011101424-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-25 WO disclosed