SCHEMBL8191972

SCHEMBL8191972

COc1ccc(COC(=O)CC[C@H](N)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.50
LDHA P00338 1/20 0.49
ATM Q13315 1/20 0.48
GRM8 O00222 1/20 0.48
GRM6 O15303 1/20 0.48
GRM4 Q14833 1/20 0.48
LTA4H P09960 3/20 0.46
FFAR1 O14842 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 2/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
TPH1 P17752 1/20 0.44
SLC1A5 Q15758 1/20 0.44

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
SCHEMBL11401102 0.92 KIF11 (0.48) KIF11LDHAATMGRM8GRM6
SCHEMBL17119842 0.90 ALDH1A1 (0.46) LDHAATMLTA4HFFAR1ALDH1A1
SCHEMBL11325192 0.88 ALDH1A1 (0.43) LDHAATMLTA4HFFAR1ALDH1A1
SCHEMBL9301762 0.86 SLC1A5 (0.49) KIF11LTA4HALDH1A1L3MBTL1NPC1
SCHEMBL432780 0.84 SLC15A1 (0.55) LTA4HALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL124385 0.84 SLC15A1 (0.55) LTA4HALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL4850398 0.84 SLC15A1 (0.55) LTA4HALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL21095358 0.83 LTA4H (0.45) LTA4HPPARGPPARA
SCHEMBL16271059 0.83 ATM (0.48) LDHAATMFFAR1ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL29398213 0.82 SLC15A1 (0.53) LTA4HALDH1A1MAPK1L3MBTL1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2921482-A2 Labeled inhibitors of prostate-specific membrane antigen (PSMA), biological evaluation, and use as imaging agents The Johns Hopkins University (US) 2015-09-23 EP disclosed
EP-2170075-B1 LABELED INHIBITORS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA), BIOLOGICAL EVALUATION, AND USE AS IMAGING AGENTS UNIV JOHNS HOPKINS (US) 2014-12-03 EP disclosed
US-6030941-A FOR DELIVERY OF DRUGS AND OTHER COMPOUNDS ACROSS LIPID LAYERS AVI BIOPHARMA, INC. (US) 2000-02-29 US disclosed
EP-0966303-A2 POLYPEPTIDE CONJUGATES FOR TRANSPORTING SUBSTANCES ACROSS CELL MEMBRANES ANTIVIRALS INC. (US) 1999-12-29 EP disclosed
WO-1997040854-A2 POLYPEPTIDE CONJUGATES FOR TRANSPORTING SUBSTANCES ACROSS CELL MEMBRANES ANTIVIRALS INC. (US) 1997-11-06 WO disclosed