SCHEMBL9185405

SCHEMBL9185405

Fc1cc(C2CCC(C3CC[CH]CC3)CC2)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.46
KCNH2 Q12809 2/20 0.46
KDM1B Q8NB78 1/20 0.46
RCOR1 Q9UKL0 1/20 0.38
IDO1 P14902 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
SCHEMBL9185400 1.00 KDM1A (0.46) KDM1AKCNH2KDM1BRCOR1IDO1
SCHEMBL9178880 0.90 KDM1A (0.51) KDM1AKCNH2KDM1BRCOR1IDO1
SCHEMBL17780006 0.86 KDM1A (0.58) KDM1AKCNH2KDM1BRCOR1IDO1
SCHEMBL9184228 0.85 HTR2A (0.37) KDM1A
SCHEMBL9184233 0.85 HTR2A (0.37) KDM1A
SCHEMBL9178922 0.81 SLC6A2 (0.35) KCNH2
SCHEMBL9178918 0.81 SLC6A2 (0.35) KCNH2
SCHEMBL20596701 0.79 KDM1A (0.55) KDM1AKCNH2KDM1BRCOR1
SCHEMBL8962935 0.78 KDM1A (0.41) KDM1AKCNH2KDM1BRCOR1
SCHEMBL26991545 0.78 KDM1A (0.53) KDM1AKCNH2KDM1BRCOR1

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-5380462-A Cyclohexyl alkenoate compounds HOFFMANN-LA ROCHE INC. (US) 1995-01-10 US disclosed