SCHEMBL3264903

SCHEMBL3264903

C=CCOC(=O)C(=Cc1ccccc1)S(=O)(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 5/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 4/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
PTP4A3 O75365 1/20 0.36
PTP4A1 Q93096 1/20 0.36
ALOX12 P18054 1/20 0.36
GLA P06280 1/20 0.36
CASP1 P29466 1/20 0.36
RHOA P61586 1/20 0.35

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
SCHEMBL8219793 0.81 MEN1 (0.64) CYP3A4MEN1KMT2AALDH1A1TSHR
SCHEMBL7024675 0.80 CYP3A4 (0.51) CYP3A4MEN1KMT2AALDH1A1TSHR
SCHEMBL8841067 0.77 AKR1C3 (0.53) CYP3A4MEN1KMT2AALDH1A1TSHR
SCHEMBL1808353 0.76 AKR1C1 (0.54) CYP3A4MEN1KMT2AALDH1A1TSHR
SCHEMBL10575661 0.76 CYP3A4 (0.51) CYP3A4MEN1KMT2AALDH1A1TSHR
SCHEMBL1808352 0.76 AKR1C1 (0.54) CYP3A4MEN1KMT2AALDH1A1TSHR
SCHEMBL10476862 0.75 KMT2A (0.59) CYP3A4MEN1KMT2AALDH1A1TSHR
SCHEMBL10476860 0.75 KMT2A (0.59) CYP3A4MEN1KMT2AALDH1A1TSHR
SCHEMBL252039 0.75 MEN1 (0.47) CYP3A4MEN1KMT2AALDH1A1TSHR
SCHEMBL16416754 0.74 CYP3A4 (0.33) CYP3A4TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070093558-A1 Electrostatic aerosol compositions RECKITT BENCKISER (UK) LIMITED, A UK CORPORATION 2007-04-26 US claimed
EP-1409605-A2 ELECTROSTATIC AEROSOL COMPOSITIONS Reckitt Benckiser (U.K.) LIMITED (GB) 2004-04-21 EP claimed
US-20030096878-A1 Electrostatic aerosol compositions RECKITT BENCKISER (UK) LIMITED 2003-05-22 US claimed
WO-2001018145-A2 ELECTROSTATIC AEROSOL COMPOSITIONS RECKITT BENCKISER (UK) LIMITED (GB) 2001-03-15 WO claimed
US-7745497-B2 Electrostatic aerosol compositions RECKITT BENCKISER (UK) LIMITED (GB) 2010-06-29 US disclosed
US-20070093558-A1 Electrostatic aerosol compositions RECKITT BENCKISER (UK) LIMITED, A UK CORPORATION 2007-04-26 US disclosed
EP-1409605-A2 ELECTROSTATIC AEROSOL COMPOSITIONS Reckitt Benckiser (U.K.) LIMITED (GB) 2004-04-21 EP disclosed
US-20030096878-A1 Electrostatic aerosol compositions RECKITT BENCKISER (UK) LIMITED 2003-05-22 US disclosed
WO-2001018145-A2 ELECTROSTATIC AEROSOL COMPOSITIONS RECKITT BENCKISER (UK) LIMITED (GB) 2001-03-15 WO disclosed