SCHEMBL7656485

SCHEMBL7656485

O=C(CCC=Cc1ccc(F)cc1)OOC(=O)CCC=Cc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.47
TNFRSF1A P19438 1/20 0.43
GRIK1 P39086 1/20 0.42
GRIK2 Q13002 1/20 0.42
PTGS1 P23219 1/20 0.42
POLB P06746 1/20 0.40
MAOB P27338 2/20 0.39
LMNA P02545 4/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 2/20 0.39
NFE2L2 Q16236 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAOA P21397 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TRPA1 O75762 1/20 0.37

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
SCHEMBL7656477 1.00 HSD11B1 (0.47) HSD11B1TNFRSF1AGRIK1GRIK2PTGS1
SCHEMBL7651688 0.83 CYP1A2 (0.47) GRIK1GRIK2MAOBLMNACYP1A2
SCHEMBL7650815 0.83 RAB9A (0.46) GRIK1GRIK2POLBMAOBLMNA
SCHEMBL7651686 0.83 CYP1A2 (0.47) GRIK1GRIK2MAOBLMNACYP1A2
SCHEMBL7650821 0.83 RAB9A (0.46) GRIK1GRIK2POLBMAOBLMNA
SCHEMBL7657357 0.82 PAM (0.53) MAOBLMNACYP1A2MAPTCYP2C9
SCHEMBL2043779 0.82 HSD11B1 (0.50) HSD11B1TNFRSF1AGRIK1GRIK2PTGS1
SCHEMBL727448 0.82 HSD11B1 (0.50) HSD11B1TNFRSF1AGRIK1GRIK2PTGS1
SCHEMBL727447 0.82 HSD11B1 (0.50) HSD11B1TNFRSF1AGRIK1GRIK2PTGS1
SCHEMBL7657362 0.82 PAM (0.53) MAOBLMNACYP1A2MAPTCYP2C9

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