SCHEMBL7798372

SCHEMBL7798372

CCCCCc1ccc(-c2ncc(-c3ccc(CCCCC(=O)O)cc3)cn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.61
ALDH1A1 P00352 3/20 0.58
MEN1 O00255 2/20 0.58
MAPT P10636 2/20 0.58
KMT2A Q03164 2/20 0.58
RAB9A P51151 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HSD17B10 Q99714 2/20 0.58
KDM4E B2RXH2 1/20 0.58
USP2 O75604 1/20 0.58
GAA P10253 1/20 0.58
HPGD P15428 1/20 0.58
RARA P10276 2/20 0.57
MTOR P42345 1/20 0.57
NPC1 O15118 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
S1PR1 P21453 3/20 0.51
S1PR3 Q99500 3/20 0.51

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
SCHEMBL7798472 0.99 RARB (0.64) RARBALDH1A1MEN1MAPTKMT2A
SCHEMBL7800496 0.99 RARB (0.64) RARBALDH1A1MEN1MAPTKMT2A
SCHEMBL7796882 0.99 RARB (0.64) RARBALDH1A1MEN1MAPTKMT2A
SCHEMBL7796716 0.99 RARB (0.64) RARBALDH1A1MEN1MAPTKMT2A
SCHEMBL7798349 0.99 RARB (0.64) RARBALDH1A1MEN1MAPTKMT2A
SCHEMBL7796678 0.99 RARB (0.64) RARBALDH1A1MEN1MAPTKMT2A
SCHEMBL7799499 0.97 RARB (0.61) RARBALDH1A1MEN1MAPTKMT2A
SCHEMBL7799506 0.96 RARB (0.64) RARBALDH1A1MEN1MAPTKMT2A
SCHEMBL7800833 0.95 RARB (0.54) RARBALDH1A1MEN1MAPTKMT2A
SCHEMBL7798420 0.95 RARB (0.69) 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-0546298-B1 Fatty acids esters containing a pyrimidine ring as component liquid crystalline mixtures ROLIC AG (CH) 2000-08-02 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