SCHEMBL4639247

SCHEMBL4639247

CC(Oc1ccccc1)S(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
GAA P10253 2/20 0.43
PKM P14618 1/20 0.43
LMNA P02545 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 1/20 0.40
SRC P12931 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL4875702 0.80 KMT2A (0.32) CYP1A2CYP2C9CYP2C19GAAPKM
SCHEMBL3016605 0.80 POLB (0.45) CYP1A2CYP2C9CYP2C19GAALMNA
SCHEMBL7959053 0.79 CYP1A2 (0.41) MTNR1AMTNR1BCYP1A2CYP2C9CYP2C19
Sulfuric Acid SCHEMBL27781775 0.79 KMT2A (0.46) MTNR1AMTNR1BCYP1A2CYP2C9CYP2C19
SCHEMBL28040936 0.79 CA1 (0.48) MTNR1AMTNR1BCYP1A2CYP2C9CYP2C19
SCHEMBL27943215 0.78 SRC (0.42) MTNR1AMTNR1BCYP1A2CYP2C9CYP2C19
Sulfuric Acid SCHEMBL6827459 0.76 FFAR1 (0.55) CYP1A2CYP2C9CYP2C19LMNAKMT2A
SCHEMBL1891195 0.76 MTNR1A (0.41) MTNR1AMTNR1BCYP1A2CYP2C9CYP2C19
SCHEMBL5704304 0.76 SMN1; SMN2 (0.42) MTNR1AMTNR1BCYP1A2CYP2C9CYP2C19
SCHEMBL7589343 0.75 CA1 (0.43) MTNR1AMTNR1BCYP1A2CYP2C9CYP2C19

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
CN-110302078-A Oral care composition 荷兰联合利华有限公司 2019-10-08 CN disclosed
EP-1185736-B1 RETENTION AGENT COMPRISING PEO FPINNOVATIONS (CA) 2008-01-02 EP disclosed
EP-1393708-A1 METHOD OF TREATING HAIR Kao Corporation (JP) 2004-03-03 EP disclosed
US-20040011373-A1 Method of treating hair KAO CORPORATION (JP) 2004-01-22 US disclosed
US-6372088-B1 PAPERMAKING, RETENTION AID COMPRISING A POLYOXYETHYLENE AND A PHENOLIC RESIN ETHERIFIED WITH CARBOXYALKYL GROUPS VIA A WILLIAMSON REACTION TO CHANGE THE SOLUBILITY PULP AND PAPER RESERCH INSTITUTE OF CANADA (CA) 2002-04-16 US disclosed
EP-1185736-A1 RETENTION AGENT COMPRISING PEO Pulp and Paper Research Institute of Canada (CA) 2002-03-13 EP disclosed
WO-2000060169-A1 RETENTION AGENT COMPRISING PEO PULP AND PAPER RESEARCH INSTITUTE OF CANADA (CA) 2000-10-12 WO disclosed