SCHEMBL2912663

SCHEMBL2912663

NC(=O)CCC(N)C(=O)c1ccc(O)c(I)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.40
KMT2A Q03164 4/20 0.40
BLM P54132 2/20 0.40
ALOX15 P16050 2/20 0.40
PMP22 Q01453 1/20 0.40
THRB P10828 7/20 0.38
THRA P10827 5/20 0.38
LMNA P02545 4/20 0.38
MEN1 O00255 3/20 0.38
ABCB11 O95342 2/20 0.38
PCNA P12004 2/20 0.38
GABRA1 P14867 2/20 0.38
PPARG P37231 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
F2 P00734 1/20 0.38

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
SCHEMBL8107388 1.00 ESR1 (0.40) ESR1KMT2ABLMALOX15PMP22
SCHEMBL7094989 0.86 KDM4E (0.50) KMT2ABLMALOX15PMP22USP2
SCHEMBL7094986 0.86 KDM4E (0.50) KMT2ABLMALOX15PMP22USP2
SCHEMBL2912668 0.79 ESR1 (0.40) ESR1KMT2ABLMALOX15THRB
SCHEMBL4658680 0.78 BLM (0.47) ESR1KMT2ABLMALOX15PMP22
SCHEMBL4658683 0.78 BLM (0.47) ESR1KMT2ABLMALOX15PMP22
SCHEMBL7523284 0.74 KDM4E (0.50) ESR1BLMALOX15PMP22LMNA
SCHEMBL6286721 0.73 KMT2A (0.43) KMT2ABLMALOX15PMP22MEN1
SCHEMBL29634956 0.73 BLM (0.53) KMT2ABLMALOX15PMP22LMNA
SCHEMBL10962857 0.71 LCK (0.53) ESR1KMT2ATSHRPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042286-B1 GAMMA-GLUTAMYL AND BETA-ASPARTYL CONTAINING IMMUNOMODULATOR COMPOUNDS AND METHODS THEREWITH CRAGMONT PHARMACEUTICALS LLC (US) 2010-08-25 EP disclosed
EP-1042286-A1 GAMMA-GLUTAMYL AND BETA-ASPARTYL CONTAINING IMMUNOMODULATOR COMPOUNDS AND METHODS THEREWITH Wei, Edward T. (US) 2000-10-11 EP disclosed
WO-1999033799-A1 GAMMA-GLUTAMYL AND BETA-ASPARTYL CONTAINING IMMUNOMODULATOR COMPOUNDS AND METHODS THEREWITH WEI EDWARD T (US) 1999-07-08 WO disclosed
US-5916878-A DIPEPTIDE OF EITHER GAMMA-GLUTAMYL-L-TRYPTOPHAN OR BETA-ASPARTYL-L-TRYPTOPHAN; ADMINISTERING TO THE PATIENTS TO REDUCE THE RISKS INFECTIONS FROM MICROORGANISM Wei, Edward T. (US) 1999-06-29 US disclosed
US-5744452-A IMMUNE SYSTEM DISORDERS, AIDS Wei, Edward T. (US) 1998-04-28 US disclosed
WO-1997019691-A1 GAMMA-L-GLUTAMYL CONTAINING IMMUNOMODULATOR COMPOUNDS AND METHODS THEREWITH WEI, EDWARD, T. (US) 1997-06-05 WO disclosed