SCHEMBL4243159

SCHEMBL4243159

CCC(C)C(N)C(=O)Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
TAAR1 Q96RJ0 1/20 0.53
ALDH1A1 P00352 4/20 0.51
MAPT P10636 3/20 0.51
RXFP1 Q9HBX9 1/20 0.51
CIT O14578 1/20 0.51
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
METAP2 P50579 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MME P08473 1/20 0.49
ACE P12821 1/20 0.49
TERT O14746 1/20 0.48
KLK7 P49862 1/20 0.48
MAPK1 P28482 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA14 Q9ULX7 1/20 0.48

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
SCHEMBL10448121 1.00 MEN1 (0.55) MEN1KMT2ATAAR1ALDH1A1MAPT
SCHEMBL3667726 0.85 CIT (0.53) MEN1KMT2ATAAR1ALDH1A1MAPT
SCHEMBL3632306 0.84 GAA (0.60) ALDH1A1METAP2SMN1; SMN2DPP8DPP9
SCHEMBL18896441 0.83 MEN1 (0.58) MEN1KMT2ATAAR1ALDH1A1MAPT
SCHEMBL24832296 0.82 TAAR1 (0.59) MEN1KMT2ATAAR1ALDH1A1MAPT
SCHEMBL835887 0.82 TAAR1 (0.59) MEN1KMT2ATAAR1ALDH1A1MAPT
SCHEMBL836046 0.82 TAAR1 (0.59) MEN1KMT2ATAAR1ALDH1A1MAPT
SCHEMBL11787133 0.81 ALDH1A1 (0.48) MEN1KMT2ATAAR1ALDH1A1MAPT
SCHEMBL3666626 0.81 KMT2A (0.62) MEN1KMT2AALDH1A1MAPTCIT
Bromide SCHEMBL5891506 0.81 SMN1; SMN2 (0.55) MEN1KMT2AALDH1A1MAPTCIT

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-2009053277-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2009-04-30 WO disclosed