SCHEMBL7842786

SCHEMBL7842786

CCOC(=O)CC(CC=O)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
MET P08581 1/20 0.40
ALDH1A1 P00352 7/20 0.40
CYP3A4 P08684 2/20 0.40
ALOX15 P16050 2/20 0.40
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD17B10 Q99714 2/20 0.39
CHRM1 P11229 1/20 0.39
ADORA1 P30542 1/20 0.39
TRPA1 O75762 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALOX5 P09917 1/20 0.38
CYP2D6 P10635 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL29219062 0.87 MGAM (0.40) MGAMGAASIMGAM2MET
SCHEMBL29191683 0.87 MGAM (0.40) MGAMGAASIMGAM2MET
SCHEMBL918077 0.86 ALDH1A1 (0.42) MGAMGAASIMGAM2ALDH1A1
SCHEMBL27785785 0.85 MEN1 (0.42) MGAMGAASIMGAM2ALDH1A1
SCHEMBL8719366 0.83 MGAM (0.52) MGAMGAASIMGAM2ALDH1A1
SCHEMBL7175165 0.83 GAA (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4056303 0.82 ALDH1A1 (0.39) MGAMGAASIMGAM2ALDH1A1
SCHEMBL26113751 0.80 ALDH1A1 (0.37) MGAMGAASIMGAM2MET
SCHEMBL6868422 0.79 MGAM (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL9203447 0.79 MGAM (0.48) MGAMGAASIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0801644-A4 POLYARYLCARBAMOYLAZA -AND- CARBAMOYLALKANEDIOIC ACIDS RHONE POULENC RORER PHARMA (US) 2001-03-07 EP disclosed
EP-0801644-A1 POLYARYLCARBAMOYLAZA -AND- CARBAMOYLALKANEDIOIC ACIDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1997-10-22 EP disclosed
US-5556990-A SQUALENE SYNTHASE INHIBITORS, ANTICHOLESTEROL AGENTS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-09-17 US disclosed
WO-1996018615-A1 POLYARYLCARBAMOYLAZA -AND- CARBAMOYLALKANEDIOIC ACIDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-06-20 WO disclosed