SCHEMBL9410025

SCHEMBL9410025

CC(C)[C@H](N)C(=O)C1N[C@@H](C(=O)O)Cc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
GRM7 Q14831 2/20 0.35
HTR2A P28223 1/20 0.35
DPP8 Q6V1X1 2/20 0.33
DPP9 Q86TI2 2/20 0.33
DPP4 P27487 1/20 0.33
FAP Q12884 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
ACE P12821 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 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
SCHEMBL10490158 0.91 MAPT (0.45) MAPTGAATSHRNPSR1KDM4E
SCHEMBL10914916 0.82 GAA (0.40) MAPTGAATSHRNPSR1KDM4E
SCHEMBL27398624 0.81 MAPT (0.53) MAPTGAATSHRNPSR1KDM4E
SCHEMBL28787105 0.81 MAPT (0.53) MAPTGAATSHRNPSR1KDM4E
SCHEMBL9710472 0.81 HDAC8 (0.44) MAPTGAATSHRNPSR1DPP4
SCHEMBL28296103 0.80 GAA (0.49) MAPTGAATSHRNPSR1KDM4E
SCHEMBL9252380 0.80 MAPT (0.36) MAPTGAATSHRNPSR1KDM4E
SCHEMBL7806756 0.78 TSHR (0.38) MAPTGAATSHRNPSR1KDM4E
SCHEMBL2498951 0.77 HDAC8 (0.46)
SCHEMBL10833719 0.77 MAPT (0.45) MAPTGAATSHRNPSR1KDM4E

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-0618221-A2 Heterocyclic inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 1994-10-05 EP disclosed