SCHEMBL7701655

SCHEMBL7701655

COC(=O)[C@H](OC(=O)O[C@@H](C(=O)OC)c1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.60
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 1/20 0.47
KLK7 P49862 1/20 0.47
PPARA Q07869 1/20 0.45
MEN1 O00255 3/20 0.45
GAA P10253 2/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 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
SCHEMBL7701652 0.89 KMT2A (0.60) KMT2AALDH1A1CYP3A4KLK7PPARA
SCHEMBL7512534 0.87 ALDH1A1 (0.64) KMT2AALDH1A1CYP3A4KLK7MEN1
SCHEMBL7512529 0.87 ALDH1A1 (0.64) KMT2AALDH1A1CYP3A4KLK7MEN1
SCHEMBL8997426 0.87 ALDH1A1 (0.64) KMT2AALDH1A1CYP3A4KLK7MEN1
SCHEMBL18207181 0.87 KMT2A (0.50) KMT2AALDH1A1CYP3A4KLK7PPARA
SCHEMBL22355962 0.87 KMT2A (0.50) KMT2AALDH1A1CYP3A4KLK7PPARA
SCHEMBL18206264 0.87 KMT2A (0.50) KMT2AALDH1A1CYP3A4KLK7PPARA
SCHEMBL22356129 0.87 KMT2A (0.50) KMT2AALDH1A1CYP3A4KLK7PPARA
SCHEMBL18206262 0.87 KMT2A (0.50) KMT2AALDH1A1CYP3A4KLK7PPARA
SCHEMBL7704690 0.85 ALDH1A1 (0.49) KMT2AALDH1A1CYP3A4MEN1LMNA

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-6469193-B1 THREE COMPONENT COUPLINGS OF ALIPHATIC ALCOHOLS, ALKYL HALIDES AND CARBON DIOXIDE IN THE PRESENCE OF CESIUM CARBONATE AND TETRABUTYLAMMONIUM IODIDE UNIVERSITY OF SOUTH FLORIDA 2002-10-22 US disclosed
WO-2000050376-A9 EFFICIENT SYNTHESIS OF ALKYL CARBONATES UNIV SOUTH FLORIDA (US) 2001-10-11 WO disclosed
WO-2000050376-A2 EFFICIENT SYNTHESIS OF ALKYL CARBONATES UNIVERSITY OF SOUTH FLORIDA (US) 2000-08-31 WO disclosed