SCHEMBL6242020

SCHEMBL6242020

C=C(C)C(=O)OCCOc1ccccc1.CC(=CCC(C)Oc1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
THRB P10828 1/20 0.43
MTNR1A P48039 5/20 0.40
MTNR1B P49286 5/20 0.40
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
NPC1 O15118 3/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
HSD17B10 Q99714 1/20 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
SCHEMBL29723033 0.83 POLB (0.49) TDP1POLBAPEX1HTTTHRB
SCHEMBL446022 0.83 MTNR1A (0.54) APEX1MTNR1AMTNR1BRAB9ANPC1
SCHEMBL6237193 0.83 MTNR1A (0.54) APEX1MTNR1AMTNR1BRAB9ANPC1
SCHEMBL6242016 0.81 TDP1 (0.44) TDP1POLBAPEX1HTTTHRB
SCHEMBL7184070 0.81 TDP1 (0.51) TDP1POLBAPEX1HTTTHRB
Methacrylic Acid SCHEMBL17911799 0.80 TDP1 (0.58) TDP1POLBAPEX1HTTTHRB
SCHEMBL21371 0.80 TDP1 (0.61) TDP1POLBAPEX1HTTTHRB
SCHEMBL15510927 0.80 TSHR (0.44) TDP1POLBAPEX1HTTTHRB
SCHEMBL28331865 0.79 TDP1 (0.60) TDP1POLBAPEX1HTTTHRB
SCHEMBL1224847 0.79 TDP1 (0.44) TDP1POLBAPEX1HTTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390427-B1 POLYMERIC EXCAVATION STRUCTURAL SUPPORT MEMBRANE CONSTR RES & TECH GMBH (DE) 2005-06-08 EP claimed
EP-1390427-A2 POLYMERIC EXCAVATION STRUCTURAL SUPPORT MEMBRANE Construction Research & Technology GmbH (DE) 2004-02-25 EP claimed
US-20020151637-A1 Polymeric structural support membrane CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2002-10-17 US claimed
WO-2002070591-A2 POLYMERIC EXCAVATION STRUCTURAL SUPPORT MEMBRANE MBT HOLDING AG (CH) 2002-09-12 WO claimed