SCHEMBL17469588

SCHEMBL17469588

COc1cccc(C(=O)c2ccc(OI)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 4/20 0.65
CES2 O00748 1/20 0.59
CES1 P23141 1/20 0.59
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
MTNR1B P49286 1/20 0.56
PARP1 P09874 1/20 0.56
ALDH1A1 P00352 2/20 0.53
GAA P10253 1/20 0.53
CYP2C8 P10632 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CNR2 P34972 1/20 0.49
POLB P06746 1/20 0.49
BLM P54132 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
PGR P06401 1/20 0.49

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
SCHEMBL2303699 0.90 STS (0.72) STSCES2CES1KMT2AMEN1
SCHEMBL4823687 0.86 CES2 (0.77) STSCES2CES1KMT2AMEN1
SCHEMBL31414638 0.86 CES2 (0.77) STSCES2CES1KMT2AMEN1
SCHEMBL30414806 0.84 MEN1 (0.69) STSCES2CES1KMT2AMEN1
SCHEMBL755443 0.84 MEN1 (0.69) STSCES2CES1KMT2AMEN1
SCHEMBL17881267 0.84 RXFP1 (0.66) CES2CES1KMT2AMEN1PARP1
Hydrochloric Acid SCHEMBL27733557 0.84 CES2 (0.74) STSCES2CES1KMT2AMEN1
SCHEMBL5389255 0.83 STS (0.64) STSCES2CES1KMT2AMEN1
SCHEMBL1986797 0.83 STS (0.64) STSCES2CES1KMT2AMEN1
SCHEMBL1992698 0.83 CYP2C8 (0.69) STSCES2CES1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016102785-A1 NOVEL POLYMERS CONTAINING METAL SULFONATE FUNCTIONS, METHODS FOR THE PRODUCTION THEREOF AND USES OF SAME AS CATALYSTS CDP INNOVATION (FR) 2016-06-30 WO disclosed
WO-2016012669-A1 NOVEL POLYMERS CONTAINING SULPHONAMIDE SODIUM OR LITHIUM SALTS, PRODUCTION METHODS THEREOF AND USES OF SAME AS ELECTROLYTES FOR BATTERIES CDP INNOVATION (FR) 2016-01-28 WO disclosed
WO-2016012670-A1 NOVEL POLYMERS CONTAINING GRAFTED BIS(SULFONYL)IMIDE SODIUM OR LITHIUM SALTS, TO THE METHODS FOR THE PRODUCTION THEREOF, AND TO THE USES OF SAME AS ELECTROLYTES FOR BATTERIES. CDP INNOVATION (FR) 2016-01-28 WO disclosed