SCHEMBL8896053

SCHEMBL8896053

NC(=O)[C@H](CC(C(=O)O)C(=O)O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)Cc1c[nH]c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 7/20 0.60
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
LMNA P02545 1/20 0.60
MPO P05164 1/20 0.60
MAPT P10636 1/20 0.60
TSHR P16473 1/20 0.60
BLM P54132 1/20 0.60
PMP22 Q01453 1/20 0.60
KMT2A Q03164 1/20 0.60
HIF1A Q16665 1/20 0.60
ACE P12821 2/20 0.56
GHSR Q92847 2/20 0.55

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
SCHEMBL8894262 1.00 ECE1 (0.60) ECE1KDM4EMEN1LMNAMPO
SCHEMBL8895364 0.96 GHSR (0.61) ECE1GHSR
SCHEMBL8894741 0.96 GHSR (0.61) ECE1GHSR
SCHEMBL8896981 0.96 GHSR (0.61) ECE1GHSR
SCHEMBL8894890 0.95 GHSR (0.59) ECE1KDM4EMEN1LMNAMPO
SCHEMBL8896673 0.92 NPY1R (0.55) GHSR
SCHEMBL8895453 0.92 NPY1R (0.55) GHSR
SCHEMBL8894656 0.91 CTSC (0.57) ECE1MEN1KMT2AACEGHSR
SCHEMBL8895938 0.90 ECE1 (0.59) ECE1MEN1KMT2AGHSR
SCHEMBL8896690 0.90 ECE1 (0.59) ECE1MEN1KMT2AGHSR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5661128-A TREATING CANCER MERCK & CO. INC. (US) 1997-08-26 US claimed
US-5661128-A TREATING CANCER MERCK & CO. INC. (US) 1997-08-26 US disclosed
WO-1996010037-A1 PEPTIDE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-04-04 WO disclosed