SCHEMBL7796700

SCHEMBL7796700

CCCc1ccc(-c2ncc(-c3ccc(CCCC(=O)O)cc3)cn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.52
HSD17B10 Q99714 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
RAB9A P51151 3/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
RARA P10276 1/20 0.48
MTOR P42345 1/20 0.48
NPC1 O15118 2/20 0.47
TP53 P04637 1/20 0.47
HDAC3 O15379 1/20 0.46
MAPK1 P28482 1/20 0.46
ADRA1A P35348 1/20 0.46

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
SCHEMBL7800833 0.96 RARB (0.54) RARBHSD17B10L3MBTL1SMN1; SMN2RAB9A
SCHEMBL8043704 0.95 RARB (0.56) RARBHSD17B10L3MBTL1SMN1; SMN2RAB9A
SCHEMBL7798299 0.95 RARB (0.56) RARBHSD17B10L3MBTL1SMN1; SMN2RAB9A
SCHEMBL7789878 0.95 RARB (0.56) RARBHSD17B10L3MBTL1SMN1; SMN2RAB9A
SCHEMBL7789745 0.94 RARB (0.59) RARBHSD17B10L3MBTL1SMN1; SMN2RAB9A
SCHEMBL7799499 0.93 RARB (0.61) RARBHSD17B10SMN1; SMN2RAB9AMEN1
SCHEMBL7799506 0.92 RARB (0.64) RARBHSD17B10SMN1; SMN2RAB9AMEN1
SCHEMBL7796725 0.92 FFAR1 (0.54) RARBHSD17B10L3MBTL1SMN1; SMN2RAB9A
SCHEMBL7796713 0.90 RARB (0.61) RARBHSD17B10L3MBTL1SMN1; SMN2RAB9A
SCHEMBL7798372 0.90 RARB (0.61) RARBHSD17B10SMN1; SMN2RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1160242-A1 Aromatic fatty acid esters Rolic AG (CH) 2001-12-05 EP disclosed
EP-0546298-B1 Fatty acids esters containing a pyrimidine ring as component liquid crystalline mixtures ROLIC AG (CH) 2000-08-02 EP disclosed
EP-0992498-A1 Aromatic fatty acid esters Rolic AG (CH) 2000-04-12 EP disclosed
EP-0546298-A2 Fatty acids esters containing a pyridine or pyrimidine ring as components liquid crystalline mixtures F. HOFFMANN-LA ROCHE AG (CH) 1993-06-16 EP disclosed