SCHEMBL16595000

SCHEMBL16595000

C=C(C)C(=O)OCCC(C)Nc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 3/20 0.40
TSHR P16473 4/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
HIF1A Q16665 1/20 0.39
THRB P10828 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPT P10636 1/20 0.37
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36

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
SCHEMBL6569467 0.87 TSHR (0.51) TDP1POLBAPEX1HTTSMN1; SMN2
SCHEMBL7951993 0.82 MAPT (0.42) TDP1POLBAPEX1HTTSMN1; SMN2
SCHEMBL235139 0.79 MTNR1A (0.49) TDP1POLBAPEX1HTTTSHR
SCHEMBL8415435 0.78 THRB (0.45) TDP1POLBAPEX1HTTSMN1; SMN2
SCHEMBL305728 0.76 POLB (0.44) TDP1POLBAPEX1HTTSMN1; SMN2
SCHEMBL31740246 0.75 ALDH1A1 (0.43) TDP1POLBAPEX1HTTSMN1; SMN2
SCHEMBL4455176 0.75 TDP1 (0.42) TDP1POLBAPEX1HTTTSHR
SCHEMBL13801021 0.75 HPGD (0.44) TDP1POLBAPEX1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL11047494 0.75 POLB (0.43) TDP1POLBAPEX1HTTSMN1; SMN2
SCHEMBL1087332 0.75 NPC1 (0.60) TDP1SMN1; SMN2TSHRALDH1A1ALOX15

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-20150094448-A1 SMART POLYMER MATERIALS WITH EXCESS REACTIVE MOLECULES MEDIPACS, INC. 2015-04-02 US disclosed