SCHEMBL754502

SCHEMBL754502

CC(C)(C)CCOC(=O)CCC(=O)NCCOCCN(C(C)(C)C)S(=O)(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
SLC9A3 P48764 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL756945 0.94 LMNA (0.38) CA12CA1CA2CA4CA9
SCHEMBL754506 0.89 MAPK1 (0.36) CA1CA2LMNAKMT2ASMN1; SMN2
SCHEMBL756576 0.80 TDP1 (0.39) LMNAL3MBTL1ALDH1A1BMP1
SCHEMBL25933085 0.66 SMN1; SMN2 (0.57) LMNASMN1; SMN2L3MBTL1ALDH1A1CYP3A4
SCHEMBL25876065 0.64 TSHR (0.39) CA12CA1CA2CA4CA9
SCHEMBL18101226 0.64 LMNA (0.57) LMNAMEN1KMT2ASMN1; SMN2POLB
SCHEMBL24918920 0.63 MEN1 (0.42) CA12CA1CA2CA4CA9
SCHEMBL24918878 0.63 MEN1 (0.42) CA12CA1CA2CA4CA9
SCHEMBL25746260 0.63 MEN1 (0.42) CA12CA1CA2CA4CA9
SCHEMBL15515951 0.63 SMN1; SMN2 (0.52) CA1CA2CA4LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138272-B2 Preparation of polymer conjugates of therapeutic, agricultural, and food additive compounds ELAN PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed