SCHEMBL7769445

SCHEMBL7769445

C=CCCNCC=CCOc1ccc(C(=O)CC(O)C=C(C)C)cc1F

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
PDE4B Q07343 1/20 0.32
BRD4 O60885 1/20 0.32
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 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
SCHEMBL7768105 0.92 PTGES (0.34) KDM4EPOLBTHRATHRBPDE4B
SCHEMBL7767737 0.85 ADRB2 (0.38) KDM4EPOLBADRB2ADRB1ADRB3
SCHEMBL7769584 0.82 LTA4H (0.35) KDM4EPOLBTHRATHRB
SCHEMBL7768123 0.82 KDM4E (0.37) KDM4EADRB3
SCHEMBL7769440 0.81 LSS (0.45) KDM4ETHRATHRB
SCHEMBL7684026 0.81 LSS (0.45) KDM4ETHRATHRB
SCHEMBL7684020 0.81 LSS (0.45) KDM4ETHRATHRB
SCHEMBL7684015 0.81 LSS (0.45) KDM4ETHRATHRB
SCHEMBL7772100 0.81 KDM4E (0.33) KDM4EPOLBPDE4BBRD4
SCHEMBL7769001 0.80 THRA (0.39) KDM4ETHRATHRBPDE4B

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
EP-0778264-B1 Tertiary amines having antimycotic and cholesterol lowering activity HOFFMANN LA ROCHE (CH) 2001-07-11 EP claimed