SCHEMBL7796713

SCHEMBL7796713

CCCc1cnc(-c2ccc(-c3ccc(CCCCC(=O)O)cc3)cc2)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.61
MAPT P10636 4/20 0.51
ALDH1A1 P00352 4/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 2/20 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
NPC1 O15118 2/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
TP53 P04637 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49

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
SCHEMBL7796752 0.99 RARB (0.64) RARBMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL7798276 0.99 RARB (0.64) RARBMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL7789745 0.96 RARB (0.59) RARBMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL7800833 0.95 RARB (0.54) RARBMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL7798420 0.95 RARB (0.69) RARBMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL7798299 0.93 RARB (0.56) RARBMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL8043704 0.93 RARB (0.56) RARBMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL7789878 0.93 RARB (0.56) RARBMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL7796931 0.93 RARB (0.71) RARBMAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL7789849 0.93 RARB (0.71) 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 3 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-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