SCHEMBL3182170

SCHEMBL3182170

CC(C)(C)Oc1cc(O)ccc1[S+](c1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.33
ESR1 P03372 4/20 0.33
ALDH1A1 P00352 3/20 0.33
TYR P14679 2/20 0.33
NR1I2 O75469 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
MIF P14174 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
NFE2L2 Q16236 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAOB P27338 1/20 0.33
CYP3A4 P08684 1/20 0.33
CAMK2A Q9UQM7 2/20 0.31
ALOX5 P09917 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL3191770 0.88 ESR2 (0.33) ESR2ESR1ALDH1A1TYRNR1I2
SCHEMBL3182794 0.83 KIF11 (0.40)
SCHEMBL3193274 0.83 ACHE (0.32) CYP2C9CYP3A4
SCHEMBL3192396 0.82 MAOB (0.48) ESR2ESR1ALDH1A1HSD17B10MAOB
SCHEMBL3201005 0.80 CYP1A2 (0.38) ALDH1A1LMNACYP2C9CYP3A4
SCHEMBL3197623 0.79 KIF11 (0.40) ESR2ESR1ALDH1A1TYRNR1I2
SCHEMBL3200056 0.77 HPGD (0.42) ALDH1A1LMNACYP2C9HSD17B10
SCHEMBL3203429 0.76 KDM4E (0.33) ALDH1A1LMNAALOX15HSD17B10CYP3A4
SCHEMBL3182804 0.74 KIF11 (0.38) ALDH1A1CYP2C9HTTCYP3A4
SCHEMBL3193140 0.74 ALOX5 (0.48) ESR2ESR1ALDH1A1TYRALOX15

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
US-8206888-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2012-06-26 US disclosed
US-20100028800-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2010-02-04 US disclosed
EP-1953593-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2008-08-06 EP disclosed
US-7060414-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-06-13 US disclosed
US-20050158657-A1 Radiation-sensitive resin composition SUZUKI AKI (JP) 2005-07-21 US disclosed
US-6899989-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2005-05-31 US disclosed
US-20020090569-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2002-07-11 US disclosed