SCHEMBL7651108

SCHEMBL7651108

CC(C(=O)OOC(=O)C(C)c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.52
PTGS2 P35354 2/20 0.50
PTGS1 P23219 2/20 0.50
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
CYP2D6 P10635 1/20 0.44
SRC P12931 1/20 0.44
FAAH O00519 1/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GRM7 Q14831 2/20 0.43
BCHE P06276 1/20 0.43
HTR1A P08908 1/20 0.43
ADRB3 P13945 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
DRD3 P35462 1/20 0.43
HTR2B P41595 1/20 0.43
HTR6 P50406 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL9370903 0.92 KMT2A (0.46) KMT2APTGS2PTGS1CES2CES1
SCHEMBL15201697 0.91 KMT2A (0.53) KMT2APTGS2PTGS1CES2CES1
SCHEMBL27881153 0.88 PTGS1 (0.49) KMT2APTGS2PTGS1CES2CES1
SCHEMBL5692490 0.86 KMT2A (0.52) KMT2APTGS2PTGS1CYP2D6SRC
SCHEMBL18990763 0.85 ALDH1A1 (0.53) KMT2APTGS2PTGS1CES2CES1
SCHEMBL183940 0.84 KMT2A (0.67) KMT2APTGS2PTGS1LMNAL3MBTL1
SCHEMBL2430512 0.84 KMT2A (0.50) KMT2APTGS2PTGS1CYP2D6SRC
SCHEMBL5537242 0.84 KMT2A (0.67) KMT2APTGS2PTGS1LMNAL3MBTL1
SCHEMBL5544986 0.84 KMT2A (0.67) KMT2APTGS2PTGS1LMNAL3MBTL1
SCHEMBL28225645 0.83 ALDH1A1 (0.47) KMT2APTGS2PTGS1CYP2D6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6491903-B1 NARROW MOLECULAR WEIGHT DISTRIBUTION SHELL-CORE POLYMERS HAVING HYDROPHILIC, CROSSLINKED PERMEABLE SHELLS AND HYDROPHOBIC CORES, USED FOR REDUCING BLOOD CHOLESTEROL AND BILE ACID UPTAKE IN INTERSTINES; DRUG DELIVERY WASHINGTON UNIVERSITY 2002-12-10 US disclosed
US-6383500-B1 Particles comprising amphiphilic copolymers, having a crosslinked shell domain and an interior core domain, useful for pharmaceutical and other applications WASHINGTON UNIVERSITY 2002-05-07 US disclosed