SCHEMBL9514938

SCHEMBL9514938

CCCCCCc1ccc(-c2ccc(OCC(C)OCC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.49
MAPT P10636 3/20 0.49
RAB9A P51151 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HSD17B10 Q99714 3/20 0.49
TSHR P16473 1/20 0.49
S1PR4 O95977 2/20 0.48
S1PR5 Q9H228 2/20 0.48
S1PR2 O95136 1/20 0.48
S1PR3 Q99500 1/20 0.48
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
USP2 O75604 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
CYP3A4 P08684 2/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
SLCO1B3 Q9NPD5 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
SCHEMBL9514099 0.92 MEN1 (0.50) S1PR1MAPTRAB9AL3MBTL1HSD17B10
SCHEMBL9515901 0.92 MEN1 (0.50) S1PR1MAPTRAB9AL3MBTL1HSD17B10
SCHEMBL9514327 0.92 MEN1 (0.50) S1PR1MAPTRAB9AL3MBTL1HSD17B10
SCHEMBL9512636 0.90 MEN1 (0.49) S1PR1MAPTRAB9AL3MBTL1HSD17B10
SCHEMBL9512657 0.90 MEN1 (0.49) S1PR1MAPTRAB9AL3MBTL1HSD17B10
SCHEMBL9512035 0.90 MEN1 (0.49) S1PR1MAPTRAB9AL3MBTL1HSD17B10
SCHEMBL9512032 0.90 MEN1 (0.49) S1PR1MAPTRAB9AL3MBTL1HSD17B10
SCHEMBL9513801 0.90 MEN1 (0.49) S1PR1MAPTRAB9AL3MBTL1HSD17B10
SCHEMBL9512501 0.87 RARB (0.52) L3MBTL1TSHRALDH1A1CYP3A4RARB
SCHEMBL9794835 0.86 RARB (0.53) S1PR1MAPTRAB9AL3MBTL1HSD17B10

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
EP-0277815-B1 Optically active-2-alkoxy-propyl ether and liquid crystal composition CHISSO CORP (JP) 1993-11-24 EP disclosed
US-5021191-A Ferroelectricity display elements; extremely small redution in crystal temperature region CHISSO CORPORATION (JP) 1991-06-04 US disclosed