SCHEMBL8197858

SCHEMBL8197858

CCC1(CC)Oc2ccc(C(C)=O)cc2C(n2ccccc2=O)C1O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
ABCC9 O60706 1/20 0.35
KCNA5 P22460 2/20 0.35
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL7267490 0.86 ABCC9 (0.46) ABCC9
SCHEMBL9140628 0.86 ABCC9 (0.46) ABCC9
SCHEMBL9140641 0.86 ABCC9 (0.46) ABCC9
SCHEMBL8203937 0.81 ABCC9 (0.38) ABCC9
SCHEMBL7267578 0.76 ABCC9 (0.42) DRD3ABCC9KCNA5
SCHEMBL8090456 0.76 ABCC9 (0.46) ABCC9
SCHEMBL7269439 0.74 ABCC9 (0.44) ABCC9KCNA5
SCHEMBL8088411 0.74 KDM4E (0.33) ABCC9KDM4E
SCHEMBL9313794 0.74 ABCC9 (0.44) ABCC9KCNA5
SCHEMBL9313807 0.74 ABCC9 (0.44) ABCC9KCNA5

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-6040308-A Chroman derivatives MERCK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-03-21 US disclosed