SCHEMBL11209285

SCHEMBL11209285

O=C(O)CNC(=O)CCBr

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.44
ALDH1A1 P00352 5/20 0.44
PTPN1 P18031 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42
RECQL P46063 2/20 0.42
USP2 O75604 2/20 0.42
CYP3A4 P08684 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
POLB P06746 1/20 0.42
ALOX15 P16050 1/20 0.42
APEX1 P27695 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
GPR18 Q14330 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42

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
SCHEMBL8413540 0.82 PTPN1 (0.54) FAAHALDH1A1PTPN1MEN1KMT2A
SCHEMBL2902587 0.79
SCHEMBL2808310 0.79 PTPN1 (0.60) FAAHALDH1A1PTPN1MEN1KMT2A
SCHEMBL2804264 0.79 PTPN1 (0.55) FAAHALDH1A1PTPN1MEN1KMT2A
SCHEMBL19495977 0.79
SCHEMBL3253304 0.79 PHF8 (0.55) FAAHALDH1A1PTPN1MEN1KMT2A
SCHEMBL10056657 0.77 PTPN1 (0.63) FAAHALDH1A1PTPN1MEN1KMT2A
SCHEMBL30838582 0.77 PTPN1 (0.63) FAAHALDH1A1PTPN1MEN1KMT2A
SCHEMBL8505361 0.77 PTPN1 (0.63) FAAHALDH1A1PTPN1MEN1KMT2A
SCHEMBL31336114 0.77 PTPN1 (0.63) FAAHALDH1A1PTPN1MEN1KMT2A

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-0086757-A1 Derivatives of alpha or beta-mercaptopropionylamidoacetic acids, processes for their preparation and the therapeutic compositions which include them as active principles Farmatis S.r.l. (IT) 1983-08-24 EP disclosed
EP-0015544-B1 DERIVATIVES OF THE MERCAPTOPROPIONAMIDO-ACETIC ACID, PROCESS FOR THE PREPARATION THEREOF AND COMPOSITIONS ZAMBON S.p.A. (IT) 1983-01-05 EP disclosed
EP-0015544-A2 Derivatives of the mercaptopropionamido-acetic acid, process for the preparation thereof and compositions ZAMBON S.p.A. (IT) 1980-09-17 EP disclosed