SCHEMBL12855871

SCHEMBL12855871

C=C(C)CCCCC(=O)N(c1ccccc1)C1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ NPC1 O15118 1/20 0.60
▸ MITF O75030 1/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ RAB9A P51151 1/20 0.60
▸ PAX8 Q06710 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ OPRM1 P35372 5/20 0.49
▸ MLYCD O95822 1/20 0.48
▸ TRPM8 Q7Z2W7 2/20 0.47
▸ OPRD1 P41143 5/20 0.45
▸ OPRK1 P41145 2/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ CHRM3 P20309 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.43
▸ CA12 O43570 2/20 0.43
▸ CA1 P00915 2/20 0.43

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
SCHEMBL12856004 0.89 MEN1 (0.63) MEN1KMT2AKDM4ENPC1MITF
SCHEMBL12679815 0.89 MEN1 (0.63) MEN1KMT2AKDM4ENPC1MITF
SCHEMBL12679827 0.88 MEN1 (0.62) MEN1KMT2AKDM4ENPC1MITF
SCHEMBL12679826 0.88 MEN1 (0.62) MEN1KMT2AKDM4ENPC1MITF
SCHEMBL12679828 0.88 MEN1 (0.62) MEN1KMT2AKDM4ENPC1MITF
SCHEMBL12679825 0.88 MEN1 (0.62) MEN1KMT2AKDM4ENPC1MITF
SCHEMBL12679813 0.86 MEN1 (0.63) MEN1KMT2AKDM4ENPC1MITF
SCHEMBL12679658 0.86 MEN1 (0.67) MEN1KMT2AKDM4ENPC1MITF
SCHEMBL12679671 0.85 MEN1 (0.65) MEN1KMT2AKDM4ENPC1MITF
SCHEMBL12679674 0.85 MEN1 (0.65) MEN1KMT2AKDM4ENPC1MITF

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-2279732-A2 Compounds and compositions for delivering active agents Emisphere Technologies, Inc. (US) 2011-02-02 — — EP disclosed
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