SCHEMBL7800844

SCHEMBL7800844

CCCCCCCCCCc1cnc(-c2ccc(-c3ccc(CCC(=O)O)cc3)cc2)nc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.71
ALDH1A1 P00352 3/20 0.60
MEN1 O00255 2/20 0.60
MAPT P10636 2/20 0.60
KMT2A Q03164 2/20 0.60
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
KDM4E B2RXH2 1/20 0.60
USP2 O75604 1/20 0.60
GAA P10253 1/20 0.60
HPGD P15428 1/20 0.60
HSD17B10 Q99714 1/20 0.60
RARA P10276 2/20 0.59
MTOR P42345 1/20 0.59
NPC1 O15118 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
S1PR1 P21453 3/20 0.50
S1PR3 Q99500 3/20 0.50

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
SCHEMBL7799521 1.00 RARB (0.71) RARBALDH1A1MEN1MAPTKMT2A
SCHEMBL7796925 1.00 RARB (0.71) RARBALDH1A1MEN1MAPTKMT2A
SCHEMBL7800723 0.99 RARB (0.69) RARBALDH1A1MEN1MAPTKMT2A
SCHEMBL7789854 0.95 RARB (0.71) RARBALDH1A1MEN1MAPTKMT2A
SCHEMBL7789898 0.95 RARB (0.71) RARBALDH1A1MEN1MAPTKMT2A
SCHEMBL7799492 0.95 RARB (0.71) RARBALDH1A1MEN1MAPTKMT2A
SCHEMBL7796757 0.95 RARB (0.71) RARBALDH1A1MEN1MAPTKMT2A
SCHEMBL7799543 0.95 RARB (0.64) RARBALDH1A1MEN1MAPTKMT2A
SCHEMBL7789849 0.95 RARB (0.71) RARBALDH1A1MEN1MAPTKMT2A
SCHEMBL7796931 0.95 RARB (0.71) RARBALDH1A1MEN1MAPTKMT2A

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