SCHEMBL7649941

SCHEMBL7649941

N#Cc1ccc(C(=O)OOC(=O)c2ccc(C#N)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.59
CA1 P00915 2/20 0.59
GSK3B P49841 2/20 0.53
PARP15 Q460N3 1/20 0.53
PARP10 Q53GL7 1/20 0.53
PARP2 Q9UGN5 1/20 0.53
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
F2 P00734 1/20 0.50
LMNA P02545 1/20 0.50
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 2/20 0.46
CA12 O43570 1/20 0.46
CA3 P07451 1/20 0.46
CA6 P23280 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL247746 0.84 CA2 (0.57) CA2CA1GSK3BPARP15PARP10
Cycloheptane SCHEMBL8384044 0.84 CA1 (0.49) CA2CA1GSK3BPARP15PARP10
SCHEMBL7393 0.83 CA1 (0.57) CA2CA1GSK3BALDH1A1MAPT
SCHEMBL14223454 0.83 CA2 (0.55) CA2CA1GSK3BPARP15PARP10
SCHEMBL6965607 0.83 CA2 (0.55) CA2CA1GSK3BPARP15PARP10
SCHEMBL23037551 0.83 CA2 (0.55) CA2CA1GSK3BPARP15PARP10
SCHEMBL10973501 0.81 ADRB2 (0.55) CA2CA1GSK3BPARP15PARP10
Charcoal, Activated SCHEMBL31430427 0.81 CA1 (0.55) CA2CA1GSK3BPARP15PARP10
SCHEMBL8496209 0.81 ALDH1A1 (0.58) CA2CA1GSK3BPARP15PARP10
SCHEMBL29038955 0.81 ALDH1A1 (0.58) CA2CA1GSK3BPARP15PARP10

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