SCHEMBL27947484

SCHEMBL27947484

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ HCRTR1 O43613 1/20 0.58
▸ ERAP2 Q6P179 6/20 0.54
▸ ERAP1 Q9NZ08 5/20 0.54
▸ LNPEP Q9UIQ6 4/20 0.54
▸ IL1RN P18510 3/20 0.53
▸ NOD1 Q9Y239 2/20 0.53
▸ MAPT P10636 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ MPO P05164 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ PMP22 Q01453 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ PPARG P37231 1/20 0.51
▸ MMP2 P08253 1/20 0.51
▸ MMP9 P14780 1/20 0.51
▸ MMP8 P22894 1/20 0.51

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
SCHEMBL16344017 1.00 MEN1 (0.58) MEN1KMT2AHCRTR1ERAP2ERAP1
Hydrochloric Acid SCHEMBL12819866 0.99 MEN1 (0.57) MEN1KMT2AHCRTR1ERAP2ERAP1
SCHEMBL12819471 0.99 MEN1 (0.57) MEN1KMT2AHCRTR1ERAP2ERAP1
Hydrochloric Acid SCHEMBL16343490 0.98 MEN1 (0.56) MEN1KMT2AHCRTR1ERAP2ERAP1
Hydrochloric Acid SCHEMBL12819559 0.98 MEN1 (0.56) MEN1KMT2AHCRTR1ERAP2ERAP1
SCHEMBL16381767 0.95 MEN1 (0.60) MEN1KMT2AHCRTR1ERAP2ERAP1
Hydrochloric Acid SCHEMBL16343724 0.94 MEN1 (0.59) MEN1KMT2AHCRTR1ERAP2ERAP1
Hydrochloric Acid SCHEMBL12819679 0.94 MEN1 (0.59) MEN1KMT2AHCRTR1ERAP2ERAP1
SCHEMBL16377245 0.94 MEN1 (0.59) MEN1KMT2AHCRTR1ERAP2ERAP1
SCHEMBL16381769 0.94 MEN1 (0.59) MEN1KMT2AHCRTR1ERAP2ERAP1

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
CN-103502215-A Prodrugs of D-gamma-glutamyl-D-tryptophan and D-gamma-glutamyl-L-tryptophan APOTEX TECHNOLOGIES INC 2014-01-08 — — CN disclosed
Send feedback