SCHEMBL7799533

SCHEMBL7799533

CCCCCCCCc1cnc(-c2ccc(-c3ccc(CCCC(=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
MAPT P10636 3/20 0.60
RAB9A P51151 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
HSD17B10 Q99714 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
RARA P10276 2/20 0.59
MTOR P42345 1/20 0.59
NPC1 O15118 2/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
S1PR1 P21453 3/20 0.53
S1PR3 Q99500 3/20 0.53

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
SCHEMBL7796757 1.00 RARB (0.71) RARBALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL7789854 1.00 RARB (0.71) RARBALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL7796766 0.99 RARB (0.69) RARBALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL7799492 0.97 RARB (0.71) RARBALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL7789898 0.97 RARB (0.71) RARBALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL7799516 0.97 RARB (0.71) RARBALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL7796931 0.97 RARB (0.71) RARBALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL7789849 0.97 RARB (0.71) RARBALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL7799535 0.97 RARB (0.71) RARBALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL7799517 0.97 RARB (0.71) RARBALDH1A1MAPTRAB9ASMN1; 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