SCHEMBL6163815

SCHEMBL6163815

CC(C)(C)OC(=O)NC(C)(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCc2cc(C(=O)O)ccc2C1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CTSL P07711 5/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
ACE P12821 2/20 0.45
TACR1 P25103 2/20 0.45
ITGB2 P05107 1/20 0.45
ICAM1 P05362 1/20 0.45
ITGAL P20701 1/20 0.45
MAPT P10636 2/20 0.44
F10 P00742 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 1/20 0.43

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
SCHEMBL6163811 1.00 MEN1 (0.47) MEN1KMT2ACTSLCTSSCTSK
SCHEMBL6162200 0.94 MEN1 (0.45) MEN1KMT2ACTSLCTSSCTSK
SCHEMBL6162193 0.94 MEN1 (0.45) MEN1KMT2ACTSLCTSSCTSK
SCHEMBL6161589 0.93 MEN1 (0.45) MEN1KMT2ACTSLCTSSCTSK
SCHEMBL6161580 0.93 MEN1 (0.45) MEN1KMT2ACTSLCTSSCTSK
SCHEMBL6160909 0.91 CTSL (0.50) MEN1KMT2ACTSLCTSSCTSK
SCHEMBL6169906 0.90 MMP2 (0.45) MEN1KMT2ACTSLCTSSCTSK
SCHEMBL6169899 0.90 MMP2 (0.45) MEN1KMT2ACTSLCTSSCTSK
SCHEMBL6163734 0.88 TACR1 (0.48) MEN1KMT2ACTSLCTSSCTSK
SCHEMBL6163736 0.88 TACR1 (0.48) MEN1KMT2ACTSLCTSSCTSK

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-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed