SCHEMBL6938683

SCHEMBL6938683

Cc1cc(O)ccc1[S+]([O-])c1ccc(O)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.41
CYP3A4 P08684 2/20 0.41
CHRM1 P11229 1/20 0.41
MAOA P21397 1/20 0.41
TBXA2R P21731 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
ESR2 Q92731 8/20 0.41
ESR1 P03372 7/20 0.41
ACHE P22303 3/20 0.39
CYTH2 Q99418 2/20 0.36
NR1I2 O75469 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
MIF P14174 1/20 0.35
TYR P14679 1/20 0.35
HTT P42858 1/20 0.35
NFE2L2 Q16236 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL11131788 0.84 ESR2 (0.39) ALOX15CYP3A4CHRM1MAOATBXA2R
SCHEMBL11525119 0.78 ESR2 (0.35) ALOX15CYP3A4CHRM1MAOATBXA2R
Iodide SCHEMBL9574179 0.77 ALOX15 (0.41) ALOX15CYP3A4CHRM1MAOATBXA2R
Perchlorate SCHEMBL10591019 0.77 ESR2 (0.41) ALOX15CYP3A4CHRM1MAOATBXA2R
SCHEMBL360036 0.76 TDP1 (0.42) ALOX15CYP3A4ACHEALDH1A1TSHR
SCHEMBL30899314 0.76 TDP1 (0.42) ALOX15CYP3A4ACHEALDH1A1TSHR
SCHEMBL563090 0.76 TYR (0.41) ALOX15CYP3A4NR1I2ALDH1A1LMNA
SCHEMBL11148880 0.74 ALDH1A1 (0.36) ALOX15ALDH1A1HSD17B10
SCHEMBL9297100 0.74 ALDH1A1 (0.57) ALOX15CYP3A4ESR2ESR1NR1I2
SCHEMBL8388713 0.73 ESR1 (0.41) ESR2ESR1MIFTYRHSD17B1

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
US-6693049-B2 FILLING WITH AN OXYALKYLATED MELAMINE, BENZOGUANAMINE, ACETOGUANAMINE, GLYCOL URYL, UREA, THIOUREA, GUANIDINE, ALKYLENEUREA OR SUCCINYLAMIDE AND HEATING AT 150-250 C, WHEREBY NO BUBBLE IS GENERATED WHEN THE FINE HOLE IS FILLED. TOKYO OHKA KOGYO CO., LTD. (JP) 2004-02-17 US disclosed
US-20030032280-A1 Method for filling fine hole TOKYO OHKA KOGYO CO., LTD. (JP) 2003-02-13 US disclosed
US-5281570-A Heat sensitive sheets MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-01-25 US disclosed