SCHEMBL5859786

SCHEMBL5859786

CCCCCC(=O)OCCn1ccnc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.55
DGKA P23743 1/20 0.51
TBXA2R P21731 2/20 0.50
TLR2 O60603 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 2/20 0.49
MAPK1 P28482 1/20 0.49
EGLN3 Q9H6Z9 1/20 0.47
LMNA P02545 1/20 0.47
CYP19A1 P11511 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL10653577 0.99 TBXAS1 (0.58) TBXAS1DGKATBXA2RTLR2SMN1; SMN2
Hydrochloric Acid SCHEMBL11828470 0.97 TBXAS1 (0.56) TBXAS1DGKATBXA2RTLR2SMN1; SMN2
SCHEMBL47381 0.87 TBXAS1 (0.58) TBXAS1TBXA2RTLR2SMN1; SMN2HTT
SCHEMBL45905 0.87 TBXAS1 (0.54) TBXAS1SMN1; SMN2HTTMAPK1EGLN3
SCHEMBL3690128 0.84 TBXAS1 (0.53) TBXAS1DGKATBXA2RTLR2ALDH1A1
SCHEMBL27782849 0.84 EGLN3 (0.56) TBXAS1EGLN3CYP19A1KDM4EALDH1A1
SCHEMBL10072238 0.83 TBXAS1 (0.59) TBXAS1SMN1; SMN2EGLN3LMNAKDM4E
SCHEMBL27059646 0.83 MGLL (0.54) TBXAS1TLR2SMN1; SMN2HTTMAPK1
SCHEMBL12304848 0.82 TBXAS1 (0.52) TBXAS1EGLN3LMNAKDM4EALDH1A1
SCHEMBL14499226 0.82 TBXAS1 (0.60) TBXAS1EGLN3LMNAKDM4EALDH1A1

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-7141351-B2 Basic compound, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2006-11-28 US disclosed
US-20040234884-A1 Basic compound, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2004-11-25 US disclosed