SCHEMBL4748917

SCHEMBL4748917

COC(=O)C1(C)CC(=O)N1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AMPD2 Q01433 2/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
GAA P10253 1/20 0.41
ELANE P08246 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2072995 0.83 ALDH1A1 (0.41) AMPD2ALDH1A1LMNAMEN1KMT2A
SCHEMBL27979606 0.79 GAA (0.45) AMPD2ALDH1A1LMNAMEN1KMT2A
SCHEMBL4748786 0.75 CYP2D6 (0.44) ALDH1A1MEN1KMT2ACYP3A4TSHR
SCHEMBL11295999 0.75 CYP2D6 (0.44) ALDH1A1MEN1KMT2ACYP3A4TSHR
SCHEMBL3733166 0.74 TSHR (0.52) AMPD2ALDH1A1LMNAKMT2ATSHR
SCHEMBL25000116 0.73 CYP2D6 (0.48) ALDH1A1MEN1KMT2ACYP3A4TSHR
SCHEMBL11064509 0.73 CYP3A4 (0.47) ALDH1A1LMNAMEN1KMT2ACYP3A4
SCHEMBL11076847 0.73 CYP3A4 (0.45) AMPD2ALDH1A1LMNAMEN1KMT2A
SCHEMBL14828739 0.72 TSHR (0.51) AMPD2ALDH1A1LMNAKMT2ATSHR
SCHEMBL1920939 0.71 GAA (0.59) AMPD2ALDH1A1LMNAMEN1KMT2A

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-2008135525-A2 SUBSTITUTED AZETIDINES, MANUFACTURING AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-13 WO disclosed