SCHEMBL13052212

SCHEMBL13052212

CCOCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
THRA P10827 1/20 0.46
LTA4H P09960 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
NCF1 P14598 2/20 0.41
KCNA3 P22001 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 2/20 0.41
RECQL P46063 1/20 0.41
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40

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
SCHEMBL12376833 0.88 THRA (0.47) L3MBTL1THRALTA4HSMN1; SMN2NCF1
SCHEMBL10261592 0.87 KCNA3 (0.52) LTA4HKCNA3RECQLPKMTAAR1
SCHEMBL13052213 0.86 LTA4H (0.46) L3MBTL1LTA4HTDP1CYP1A2CYP2D6
SCHEMBL425903 0.84 LTA4H (0.63) LTA4HCYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL3212615 0.84 LTA4H (0.63) LTA4HCYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL243140 0.83 LTA4H (0.61) L3MBTL1LTA4HTDP1CYP1A2SMN1; SMN2
SCHEMBL215246 0.83 KCNA3 (0.58) L3MBTL1LTA4HTDP1CYP1A2CYP2D6
Iodide SCHEMBL6924529 0.82 LTA4H (0.61) LTA4HCYP1A2CYP2D6CYP2C19SMN1; SMN2
Bromide SCHEMBL3130299 0.82 LTA4H (0.61) LTA4HCYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL8644962 0.82 THRA (0.39) L3MBTL1THRATDP1CYP1A2CYP2D6

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-8298748-B2 Positive resist composition, method of forming resist pattern, and polymeric compound TOKYO OHKA KOGYO CO., LTD. (JP) 2012-10-30 US disclosed
US-20100297560-A1 POSITIVE RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, AND POLYMERIC COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2010-11-25 US disclosed