SCHEMBL4172511

SCHEMBL4172511

CCCCOc1ccc2c([S+]3CCCC3)cccc2c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
TLR4 O00206 1/20 0.39
TLR2 O60603 1/20 0.39
TSHR P16473 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
MTNR1A P48039 3/20 0.38
HRH3 Q9Y5N1 5/20 0.37
DRD3 P35462 1/20 0.37

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
Trifluoromethanesulfonic Acid SCHEMBL6562385 0.83 MTNR1A (0.36) TSHRMTNR1A
SCHEMBL29911581 0.78 CYP1A2 (0.36) TSHRGRIN1GRIN2AGRIN2B
SCHEMBL1534204 0.78 CYP1A2 (0.36) TSHRGRIN1GRIN2AGRIN2B
Trifluoromethanesulfonic Acid SCHEMBL6566112 0.78 ACHE (0.35) MTNR1A
Trifluoromethanesulfonic Acid SCHEMBL6564004 0.78 GAA (0.39) TSHRMTNR1A
SCHEMBL13088093 0.76 HTR1B (0.43)
SCHEMBL1171554 0.76 CA12 (0.43) GPBAR1CYSLTR2CYSLTR1TSHRHRH3
Trifluoromethanesulfonic Acid SCHEMBL6566405 0.75 ACHE (0.33) MTNR1A
SCHEMBL29447160 0.75 KCNA3 (0.54)
SCHEMBL15772640 0.75 KCNA3 (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090053649-A1 Lactone copolymer and radiation-sensitive resin composition JSR CORPORATION 2009-02-26 US disclosed
EP-1757628-A1 LACTONE COPOLYMER AND RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2007-02-28 EP disclosed