SCHEMBL9502551

SCHEMBL9502551

CCCCCCCC[Al](CCCCCCCC)CCCCCCCC.CCCCCO[Al](OCCCCC)OCCCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 6/20 0.39
LPAR2 Q9HBW0 5/20 0.39
LPAR1 Q92633 2/20 0.39
THRB P10828 2/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
CA1 P00915 8/20 0.34
CA2 P00918 8/20 0.34
CA9 Q16790 7/20 0.34
CA12 O43570 3/20 0.34
CA7 P43166 3/20 0.34
CA14 Q9ULX7 3/20 0.34
CA3 P07451 2/20 0.34
CA4 P22748 2/20 0.34
CA6 P23280 2/20 0.34
CA5A P35218 2/20 0.34
CA5B Q9Y2D0 2/20 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
SCHEMBL8463256 0.88 THRB (0.47) LPAR3LPAR2LPAR1THRBTSHR
SCHEMBL20513747 0.88 THRB (0.47) LPAR3LPAR2LPAR1THRBTSHR
SCHEMBL1052092 0.88 THRB (0.47) LPAR3LPAR2LPAR1THRBTSHR
SCHEMBL2852150 0.88 THRB (0.47) LPAR3LPAR2LPAR1THRBTSHR
SCHEMBL1050067 0.88 THRB (0.47) LPAR3LPAR2LPAR1THRBTSHR
SCHEMBL1050509 0.88 THRB (0.47) LPAR3LPAR2LPAR1THRBTSHR
SCHEMBL1045791 0.88 THRB (0.47) LPAR3LPAR2LPAR1THRBTSHR
SCHEMBL1361853 0.85 THRB (0.41) LPAR3LPAR2LPAR1THRBTSHR
SCHEMBL23040209 0.80 TSHR (0.57) THRBTSHRMEN1KMT2A
SCHEMBL9350922 0.80 TSHR (0.57) THRBTSHRMEN1KMT2A

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
EP-0535487-A1 Extrusion process for the manufacture of ionically crosslinked ethylene copolymers (ionomers) BASF Aktiengesellschaft (DE) 1993-04-07 EP disclosed