SCHEMBL14025104

SCHEMBL14025104

N[C@H](CF)Cc1ccc(N2CCOCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ MAPT P10636 5/20 0.43
▸ KDM4E B2RXH2 5/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ ALOX15 P16050 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ ALOX12 P18054 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ RAB9A P51151 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ HTT P42858 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ LGMN Q99538 1/20 0.41

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
SCHEMBL19063266 0.85 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EL3MBTL1ALOX15
SCHEMBL12733172 0.85 GSK3B (0.47) ACACBGSK3BALDH1A1MAPTKDM4E
SCHEMBL14023935 0.83 HRH3 (0.57) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL19062611 0.83 ADRB1 (0.46) ALDH1A1KDM4ELMNAHSD17B10USP2
SCHEMBL14025098 0.83 ADRB1 (0.46) ALDH1A1KDM4ELMNAHSD17B10USP2
SCHEMBL14025103 0.80 KDM4E (0.45) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL27777300 0.80 ALDH1A1 (0.51) ACACBALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL14023952 0.77 DPP4 (0.36) L3MBTL1
SCHEMBL14023957 0.77 DPP4 (0.36) L3MBTL1
SCHEMBL102286 0.76 ALDH1A1 (0.58) ACACBALDH1A1MAPTKDM4EL3MBTL1

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
WO-2008143729-A2 MACROLIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2008-11-27 — — WO disclosed
Send feedback