SCHEMBL3317465

SCHEMBL3317465

C=C(C)C(=O)OCCCN(C)c1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RAD52 P43351 1/20 0.37
THRB P10828 1/20 0.37
NOTUM Q6P988 1/20 0.37
AR P10275 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CYP3A4 P08684 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL1484039 0.83 POLB (0.48) TSHRPOLBAPEX1HTTTDP1
O-Xylene SCHEMBL23120128 0.78 TSHR (0.49) TSHRPOLBAPEX1HTTTDP1
SCHEMBL8977546 0.78 STAT3 (0.43) TSHRPOLBAPEX1HTTTDP1
SCHEMBL8365990 0.78 TDP1 (0.52) TSHRPOLBAPEX1HTTTDP1
SCHEMBL24522767 0.76 ALDH1A1 (0.41) LMNAALDH1A1TP53CA1
SCHEMBL10992757 0.76 RAD52 (0.49) TSHRHTTTDP1LMNAALDH1A1
SCHEMBL15910550 0.75 TDP1 (0.54) TSHRPOLBAPEX1HTTTDP1
SCHEMBL13328823 0.75 TDP1 (0.54) TSHRPOLBAPEX1HTTTDP1
SCHEMBL9472553 0.75 POLB (0.37) TSHRPOLBAPEX1HTTTDP1
SCHEMBL15910936 0.74 TDP1 (0.55) TSHRPOLBAPEX1HTTTDP1

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-7737237-B2 Controlled structure copolymer comprising an amphoteric or zwitterionic part PHODIA CHIMIE (FR) 2010-06-15 US claimed