SCHEMBL6169906

SCHEMBL6169906

CC(C)(C)OC(=O)NC(C)(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCc2cc(C(=O)N3CCOCC3)ccc2C1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ITGB2 P05107 1/20 0.44
ICAM1 P05362 1/20 0.44
ITGAL P20701 1/20 0.44
TACR1 P25103 2/20 0.42
CTSL P07711 4/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
MAPT P10636 2/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ACE P12821 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL6169899 1.00 MMP2 (0.45) MMP2MMP9MMP8MEN1KMT2A
SCHEMBL6163815 0.90 MEN1 (0.47) MEN1KMT2AITGB2ICAM1ITGAL
SCHEMBL6163811 0.90 MEN1 (0.47) MEN1KMT2AITGB2ICAM1ITGAL
SCHEMBL6162193 0.90 MEN1 (0.45) MEN1KMT2AITGB2ICAM1ITGAL
SCHEMBL6162200 0.90 MEN1 (0.45) MEN1KMT2AITGB2ICAM1ITGAL
Hydrochloric Acid SCHEMBL6163219 0.88 MMP2 (0.48) MMP2MMP9MMP8ITGB2ICAM1
Hydrochloric Acid SCHEMBL6163215 0.88 MMP2 (0.48) MMP2MMP9MMP8ITGB2ICAM1
SCHEMBL6161589 0.88 MEN1 (0.45) MEN1KMT2AITGB2ICAM1ITGAL
SCHEMBL6161580 0.88 MEN1 (0.45) MEN1KMT2AITGB2ICAM1ITGAL
SCHEMBL6160909 0.87 CTSL (0.50) MEN1KMT2ATACR1CTSLCTSS

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