SCHEMBL8545457

SCHEMBL8545457

C=CCO/N=C1/CCS(=O)(=O)c2ccc(C(=O)O)c(C)c21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
POLB P06746 1/20 0.34
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
ALDH1A1 P00352 2/20 0.31
SLC22A6 Q4U2R8 1/20 0.30
SLC22A8 Q8TCC7 1/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL8545463 1.00 RXRA (0.35) RXRARXRBRXRGPOLBKMT2A
SCHEMBL8870887 0.89 POLB (0.40) RXRARXRBRXRGPOLBKMT2A
SCHEMBL8870889 0.89 POLB (0.40) RXRARXRBRXRGPOLBKMT2A
SCHEMBL8543686 0.83 POLB (0.34) POLBKMT2AMEN1NPC1NFKB1
SCHEMBL8543683 0.83 POLB (0.34) POLBKMT2AMEN1NPC1NFKB1
SCHEMBL8620116 0.83 POLB (0.35) POLBKMT2AMEN1NPC1NFKB1
SCHEMBL8620112 0.83 POLB (0.35) POLBKMT2AMEN1NPC1NFKB1
SCHEMBL8544133 0.83 POLB (0.34) POLBKMT2AMEN1NPC1NFKB1
SCHEMBL8544135 0.83 POLB (0.34) POLBKMT2AMEN1NPC1NFKB1
SCHEMBL8899776 0.82 RXRA (0.37) RXRARXRBRXRGKMT2AMEN1

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-0818455-A1 PYRAZOLE DERIVATIVES IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-01-14 EP disclosed