SCHEMBL7648909

SCHEMBL7648909

CC(C)C(=O)OOC(=O)c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
PARP1 P09874 1/20 0.47
HPGD P15428 1/20 0.47
SLC6A2 P23975 5/20 0.47
SLC6A3 Q01959 4/20 0.47
CHRNA1 P02708 2/20 0.47
CHRNG P07510 2/20 0.47
CHRNB1 P11230 2/20 0.47
CHRNB2 P17787 2/20 0.47
CHRNB4 P30926 2/20 0.47
SLC6A4 P31645 2/20 0.47
CHRNA3 P32297 2/20 0.47
CHRNA4 P43681 2/20 0.47
CHRND Q07001 2/20 0.47
ITGA5 P08648 1/20 0.47
CYP2C19 P33261 1/20 0.47
HRH1 P35367 1/20 0.47

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
SCHEMBL7650861 0.89 CHRM2 (0.47) CHRM2CHRM4CHRM1CHRM3PARP1
SCHEMBL11654173 0.86 CHRM2 (0.45) CHRM2CHRM4CHRM1CHRM3PARP1
SCHEMBL29764528 0.86 PARP1 (0.61) CHRM2CHRM4CHRM1CHRM3PARP1
SCHEMBL388521 0.86 PARP1 (0.61) CHRM2CHRM4CHRM1CHRM3PARP1
SCHEMBL11483394 0.82 CHRM2 (0.47) CHRM2CHRM4CHRM1CHRM3PARP1
Sulfur Dioxide SCHEMBL28133474 0.81 PARP1 (0.55) CHRM2CHRM4CHRM1CHRM3PARP1
SCHEMBL27983665 0.81 F2 (0.65) PARP1ALDH1A1SMN1; SMN2RAB9AKDM4E
SCHEMBL8009083 0.80 PARP1 (0.50) CHRM2CHRM4CHRM1CHRM3PARP1
SCHEMBL11654653 0.80 SLC6A2 (0.44) CHRM2CHRM4CHRM1CHRM3PARP1
SCHEMBL16935937 0.80 PARP1 (0.53) CHRM2CHRM4CHRM1CHRM3PARP1

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