SCHEMBL7309037

SCHEMBL7309037

O=C(O)C1CCN(C(=O)Cc2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 1.00
POLB P06746 4/20 0.72
ALDH1A1 P00352 3/20 0.61
KDM4E B2RXH2 2/20 0.61
TACR3 P29371 1/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MAPT P10636 1/20 0.59
PKM P14618 1/20 0.59
ALOX12 P18054 1/20 0.59
HSD11B1 P28845 1/20 0.58
RECQL P46063 1/20 0.57
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56

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
SCHEMBL27547326 0.88 L3MBTL1 (0.79) L3MBTL1POLBALDH1A1KDM4ETACR3
SCHEMBL13629928 0.87 L3MBTL1 (0.77) L3MBTL1POLBALDH1A1KDM4ETACR3
SCHEMBL13701287 0.86 L3MBTL1 (0.75) L3MBTL1POLBALDH1A1SMN1; SMN2MAPT
SCHEMBL6210602 0.86 L3MBTL1 (0.75) L3MBTL1POLBALDH1A1KDM4ETACR3
SCHEMBL24663632 0.84 L3MBTL1 (0.73) L3MBTL1POLBALDH1A1KDM4ETACR3
SCHEMBL27559589 0.84 L3MBTL1 (0.73) L3MBTL1POLBALDH1A1SMN1; SMN2MAPT
SCHEMBL1221986 0.84 POLB (1.00) L3MBTL1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL10722408 0.84 HSD11B1 (0.77) L3MBTL1ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL3967794 0.84 HSD11B1 (0.77) L3MBTL1ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL15014500 0.83 L3MBTL1 (0.71) L3MBTL1POLBALDH1A1KDM4ETACR3

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-0520336-A2 Aldehyde derivatives and their use as calpain inhibitors FUJIREBIO Inc. (JP) 1992-12-30 EP disclosed