SCHEMBL9230692

SCHEMBL9230692

CCOC(=O)CN1C(=O)C(NC(=O)[C@@H](SC(C)=O)C(C)C)=CCc2ccc(-c3ccccc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
BACE1 P56817 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
CCKBR P32239 2/20 0.34
CCKAR P32238 1/20 0.34
ITGB2 P05107 1/20 0.33
ITGAM P11215 1/20 0.33
PIN1 Q13526 1/20 0.33
PIN4 Q9Y237 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
PTPN1 P18031 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL8883034 1.00 MEN1 (0.38) MEN1KMT2AALDH1A1LMNABACE1
SCHEMBL8882317 0.88 MMEL1 (0.36) MEN1KMT2AALDH1A1LMNABACE1
SCHEMBL9228775 0.88 MMEL1 (0.36) MEN1KMT2AALDH1A1LMNABACE1
SCHEMBL8884010 0.84 ALDH1A1 (0.35) MEN1KMT2AALDH1A1LMNABACE1
SCHEMBL9228580 0.84 ALDH1A1 (0.35) MEN1KMT2AALDH1A1LMNABACE1
SCHEMBL9226675 0.83 ALDH1A1 (0.38) MEN1KMT2AALDH1A1LMNARXFP1
SCHEMBL8881756 0.81 ALDH1A1 (0.36) MEN1KMT2AALDH1A1LMNABACE1
SCHEMBL9230328 0.78 ALDH1A1 (0.38) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL8882015 0.76 ACE (0.39)
SCHEMBL9230696 0.73 CCKBR (0.39) MEN1KMT2AALDH1A1LMNACCKBR

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-0671172-A1 AMINO ACID DERIVATIVE Eisai Co., Ltd. (JP) 1995-09-13 EP disclosed