SCHEMBL11222161

SCHEMBL11222161

NC(=O)CCC(C(=O)O)N(C(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
PMP22 Q01453 2/20 0.50
ALOX15 P16050 1/20 0.50
BLM P54132 1/20 0.50
GRM8 O00222 1/20 0.32
GRM6 O15303 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GSR P00390 1/20 0.32
CYP1A2 P05177 1/20 0.32
GRIK1 P39086 1/20 0.32
GRM5 P41594 1/20 0.32
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
GRIA4 P48058 1/20 0.32
GRIN1 Q05586 1/20 0.32

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
SCHEMBL11222164 1.00 KMT2A (0.50) KMT2APMP22ALOX15BLMGRM8
SCHEMBL30577766 0.82 TET2 (0.46) GRM8GRM6GRIN2DGRIN3BGSR
SCHEMBL4170262 0.82 ALOX15 (0.45) KMT2APMP22ALOX15BLM
SCHEMBL5324406 0.80 KMT2A (0.52) KMT2APMP22ALOX15BLMGRM8
SCHEMBL11320655 0.80 KMT2A (0.52) KMT2APMP22ALOX15BLMGRM8
SCHEMBL5324410 0.80 KMT2A (0.52) KMT2APMP22ALOX15BLMGRM8
SCHEMBL11320661 0.80 KMT2A (0.52) KMT2APMP22ALOX15BLMGRM8
SCHEMBL29670810 0.80 KMT2A (0.39) KMT2APMP22ALOX15BLMCYP3A4
SCHEMBL28194401 0.79 CYP1A2 (0.43) PMP22GRM8GRM6GRIN2DGRIN3B
SCHEMBL1692048 0.79 ALOX15 (0.52) KMT2APMP22ALOX15BLMGRM8

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
EP-0016611-B1 TRIPEPTIDES, PROCESS FOR THEIR PREPARATION, THERAPEUTIC COMPOSITIONS CONTAINING THEM AND METHODS FOR THEIR USE ORTHO PHARMACEUTICAL CORPORATION (US) 1983-08-17 EP disclosed
EP-0016611-A2 Tripeptides, process for their preparation, therapeutic compositions containing them and methods for their use ORTHO PHARMACEUTICAL CORPORATION (US) 1980-10-01 EP disclosed
US-4215112-A IMMUNOLOGY; GLANDULAR DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1980-07-29 US disclosed