SCHEMBL7800833

SCHEMBL7800833

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.54
MAPT P10636 3/20 0.51
ALDH1A1 P00352 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 1/20 0.51
USP2 O75604 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
RARA P10276 1/20 0.50
MTOR P42345 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
RXFP1 Q9HBX9 1/20 0.46
NPC1 O15118 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 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
SCHEMBL8043704 0.99 RARB (0.56) RARBMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL7789878 0.99 RARB (0.56) RARBMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL7798299 0.99 RARB (0.56) RARBMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL7796700 0.96 RARB (0.52) RARBMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL7798372 0.95 RARB (0.61) RARBMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL7796713 0.95 RARB (0.61) RARBMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL7800496 0.93 RARB (0.64) RARBMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL7798276 0.93 RARB (0.64) RARBMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL7796752 0.93 RARB (0.64) RARBMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL7796716 0.93 RARB (0.64) RARBMAPTALDH1A1RAB9ASMN1; SMN2

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