SCHEMBL9408184

SCHEMBL9408184

C=CC(C(=O)O)C1CCC([C@H]2CC[C@H](c3ccc(Br)c(F)c3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ KDM1B Q8NB78 1/20 0.35
▸ APP P05067 1/20 0.31
▸ RCOR1 Q9UKL0 1/20 0.30
▸ USP5 P45974 1/20 0.30
▸ HDAC6 Q9UBN7 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
SCHEMBL9408194 0.96 KDM1A (0.38) KDM1AKCNH2KDM1BAPPRCOR1
SCHEMBL9408471 0.89 USP5 (0.38) KDM1AAPPUSP5HDAC6
SCHEMBL9408358 0.86 USP5 (0.32) APPUSP5HDAC6
SCHEMBL9408419 0.85 USP5 (0.38) KDM1AAPPUSP5HDAC6
SCHEMBL9408224 0.83 KDM1A (0.39) KDM1A
SCHEMBL9408250 0.83 KDM1A (0.33) KDM1AKCNH2KDM1BRCOR1USP5
SCHEMBL9408288 0.83 DPP4 (0.37) APPUSP5
SCHEMBL9408253 0.83 HDAC2 (0.35) USP5HDAC6
SCHEMBL9408441 0.82 GPR139 (0.33) APPUSP5HDAC6
SCHEMBL9408209 0.79 KDM1A (0.40) KDM1A

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-0595144-A1 Cyclohexyl alkenoates as components of liquid crystalline mixtures F. HOFFMANN-LA ROCHE AG (CH) 1994-05-04 — — EP disclosed
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