SCHEMBL8620116

SCHEMBL8620116

CON=C1CCS(=O)(=O)c2ccc(C(=O)O)c(C)c21

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
KMT2A Q03164 4/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ALDH1A1 P00352 4/20 0.32
RYR2 Q92736 1/20 0.32
CTSL P07711 2/20 0.31
KDM4E B2RXH2 2/20 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
SCHEMBL8620112 1.00 POLB (0.35) POLBKMT2AMEN1NPC1NFKB1
SCHEMBL17171855 1.00 POLB (0.35) POLBKMT2AMEN1NPC1NFKB1
SCHEMBL17171857 0.89 POLB (0.37) POLBKMT2AMEN1NPC1NFKB1
SCHEMBL14985141 0.89 POLB (0.37) POLBKMT2AMEN1NPC1NFKB1
SCHEMBL8544485 0.87 POLB (0.38) POLBKMT2AMEN1NPC1NFKB1
SCHEMBL8870887 0.86 POLB (0.40) POLBKMT2AMEN1NPC1NFKB1
SCHEMBL8870889 0.86 POLB (0.40) POLBKMT2AMEN1NPC1NFKB1
SCHEMBL8543683 0.83 POLB (0.34) POLBKMT2AMEN1NPC1NFKB1
SCHEMBL8543686 0.83 POLB (0.34) POLBKMT2AMEN1NPC1NFKB1
SCHEMBL8545457 0.83 RXRA (0.35) POLBKMT2AMEN1NPC1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9291088-A None JP disclosed
US-5849926-A Pyrazole derivatives and herbicides containing the same IDEMITSU KOSAN CO., LTD. (JP) 1998-12-15 US disclosed
US-5756759-A HERBICIDES IDEMITSU KOSAN CO., LTD. (JP) 1998-05-26 US disclosed
EP-0810227-A1 ISOXAZOLE DERIVATIVES IDEMITSU KOSAN COMPANY LIMITED (JP) 1997-12-03 EP disclosed
JP-H09291088-A PRODUCTION OF PYRAZOLE DERIVATIVE IDEMITSU KOSAN CO LTD 1997-11-11 JP disclosed
EP-0728756-A1 PYRAZOLE DERIVATIVES AND HERBICIDE CONTAINING THE SAME IDEMITSU KOSAN COMPANY LIMITED (JP) 1996-08-28 EP disclosed
US-5468878-A Herbicides IDEMITSU KOSAN CO., LTD. (JP) 1995-11-21 US disclosed