SCHEMBL9488347

SCHEMBL9488347

CCCOc1cc(OCCC)cc(Oc2cc(OCCC)cc(OCCC)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.54
PLA2G2A P14555 1/20 0.42
KMT2A Q03164 2/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
MEN1 O00255 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
ELANE P08246 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
PLK1 P53350 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL91974 0.92 LTA4H (0.48) LTA4HPLA2G2AKMT2ACA12CA1
SCHEMBL10027326 0.84 NQO1 (0.50) LTA4HPLA2G2AKMT2ACA12CA1
SCHEMBL3624247 0.82 LTA4H (0.47) LTA4HPLA2G2AKMT2ACA12CA1
SCHEMBL13918745 0.82 ALDH1A1 (0.55) LTA4HPLA2G2AKMT2ACA12CA1
SCHEMBL12963416 0.82 ALDH1A1 (0.55) LTA4HPLA2G2AKMT2ACA12CA1
SCHEMBL14489702 0.82 ELANE (0.49) LTA4HPLA2G2AKMT2ACA12CA1
SCHEMBL9487763 0.81 KMT2A (0.58) LTA4HKMT2A
SCHEMBL2256145 0.80 LTA4H (0.41) LTA4HPLA2G2AKMT2ACA12CA1
SCHEMBL13347816 0.80 LTA4H (0.45) LTA4HPLA2G2AKMT2ACA12CA1
SCHEMBL2004550 0.80 LTA4H (0.55) LTA4HPLA2G2AKMT2AELANE

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-5250657-A Process for preparing polyarylene thioether SEISAN KAIHATSU KAGAKU KENKYUSHO (JP) 1993-10-05 US disclosed
EP-0440106-A2 Process for preparing polyarylene thioethers SEISAN KAIHATSU KAGAKU KENKYUSHO (JP) 1991-08-07 EP disclosed