SCHEMBL6164567

SCHEMBL6164567

CC(C)(C)OC(=O)NC(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCc2ccc(S(=O)(=O)N3CCOCC3)cc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TACR1 P25103 2/20 0.41
CTSL P07711 3/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
AIMP2 Q13155 1/20 0.40
UGCG Q16739 2/20 0.40
CYP3A4 P08684 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL8412738 1.00 ALDH1A1 (0.46) ALDH1A1MAPTGAAMMP2MMP9
SCHEMBL6161694 0.90 MEN1 (0.45) MAPTMEN1KMT2ATACR1CTSL
SCHEMBL6161487 0.89 ALDH1A1 (0.48) ALDH1A1MAPTGAAMMP2MMP9
SCHEMBL6161482 0.89 ALDH1A1 (0.48) ALDH1A1MAPTGAAMMP2MMP9
Hydrochloric Acid SCHEMBL6161150 0.89 ALDH1A1 (0.47) ALDH1A1MAPTGAAMMP2MMP9
Hydrochloric Acid SCHEMBL6161152 0.89 ALDH1A1 (0.47) ALDH1A1MAPTGAAMMP2MMP9
SCHEMBL6160909 0.85 CTSL (0.50) MAPTMEN1KMT2ATACR1CTSL
SCHEMBL6163734 0.85 TACR1 (0.48) MAPTMEN1KMT2ATACR1CTSL
SCHEMBL6163736 0.85 TACR1 (0.48) MAPTMEN1KMT2ATACR1CTSL
SCHEMBL6169899 0.85 MMP2 (0.45) MAPTMMP2MMP9MMP8MEN1

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 2 patents. 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
US-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 US disclosed