SCHEMBL7990916

SCHEMBL7990916

CCON=C1CCS(=O)(=O)c2c1ccc(C(=O)O)c2C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ALDH1A1 P00352 5/20 0.35
SLC22A6 Q4U2R8 1/20 0.32
SLC22A8 Q8TCC7 1/20 0.32

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
SCHEMBL8870889 0.81 POLB (0.40) KMT2APOLBMEN1NPC1NFKB1
SCHEMBL8870887 0.81 POLB (0.40) KMT2APOLBMEN1NPC1NFKB1
SCHEMBL8870716 0.78 SPR (0.35) KMT2APOLBMEN1NPC1NFKB1
SCHEMBL8870711 0.78 SPR (0.35) KMT2APOLBMEN1NPC1NFKB1
SCHEMBL7992005 0.75 CXCR2 (0.46) POLBSLC22A6SLC22A8
SCHEMBL9067975 0.75 MAPT (0.35) KMT2APOLBMEN1NPC1ALDH1A1
SCHEMBL7979978 0.75 MAPT (0.35) KMT2APOLBMEN1NPC1ALDH1A1
SCHEMBL8545457 0.70 RXRA (0.35) KMT2APOLBMEN1NPC1NFKB1
SCHEMBL8545463 0.70 RXRA (0.35) KMT2APOLBMEN1NPC1NFKB1
SCHEMBL8543686 0.69 POLB (0.34) KMT2APOLBMEN1NPC1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6291682-B1 FOR CONTROLLING WEEDS BASF AKTIENGESELLSCHAFT (DE) 2001-09-18 US disclosed
US-6054414-A HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 2000-04-25 US disclosed