SCHEMBL7901701

SCHEMBL7901701

CO[C@H]1O[C@H](COC(=O)c2ccccc2)[C@](O)(C(=S)SC)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
LGALS3 P17931 2/20 0.35
LGALS9 O00182 1/20 0.35
LGALS1 P09382 1/20 0.35
LGALS7; LGALS7B P47929 1/20 0.35
GAPDH P04406 1/20 0.34
NPC1 O15118 1/20 0.34
LGALS4 P56470 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ABCB1 P08183 4/20 0.33
PTPN1 P18031 4/20 0.32
CES2 O00748 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA5 P30532 1/20 0.32
CHRNA7 P36544 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
SCHEMBL8818204 1.00 ALDH1A1 (0.38) ALDH1A1MAPTMEN1USP2POLB
SCHEMBL7901705 0.89 ALDH1A1 (0.37) ALDH1A1MAPTMEN1USP2POLB
SCHEMBL1720755 0.84 ALDH1A1 (0.42) ALDH1A1MAPTMEN1USP2POLB
SCHEMBL4287942 0.83 ALDH1A1 (0.44) ALDH1A1MAPTMEN1USP2POLB
SCHEMBL4287947 0.83 ALDH1A1 (0.43) ALDH1A1MAPTMEN1USP2POLB
SCHEMBL1720756 0.83 ALDH1A1 (0.41) ALDH1A1MAPTMEN1USP2POLB
SCHEMBL4284504 0.80 ALDH1A1 (0.41) ALDH1A1MAPTMEN1USP2POLB
SCHEMBL3467883 0.77 ALDH1A1 (0.37) ALDH1A1MAPTMEN1USP2POLB
SCHEMBL15414470 0.76 ALDH1A1 (0.45) ALDH1A1MEN1USP2POLBKMT2A
SCHEMBL13649179 0.76 ALDH1A1 (0.45) ALDH1A1MEN1USP2POLBKMT2A

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
US-6197963-B1 TETRAHYDROPYRAN DERIVATIVES; PROTEIN G, SOMATOSTATIN, AND NATURAL KILLER CELL RECEPTOR ANTAGONISTS OR MIMETICS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2001-03-06 US disclosed
US-5811512-A BINDING TO G-PROTEIN-LINKED RECEPTORS, SUBSTANCE P RECEPTOR; HORMONE INHIBITORS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1998-09-22 US disclosed
US-5552534-A COMPOUNDS FOR CROSS REACTION WITH PEPTIDES FOR BINDING G PROTEIN THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1996-09-03 US disclosed