SCHEMBL7796881

SCHEMBL7796881

CCCCCCCc1ccc(-c2ncc(-c3ccc(C(CCCC)C(=O)O)cc3)cn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.56
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
USP2 O75604 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
RARA P10276 2/20 0.52
MTOR P42345 1/20 0.52
NPC1 O15118 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
RARG P13631 1/20 0.44
CYSLTR2 Q9NS75 1/20 0.43

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
SCHEMBL7796712 0.99 RARB (0.54) RARBMEN1ALDH1A1MAPTKMT2A
SCHEMBL7796675 0.98 RARB (0.56) RARBMEN1ALDH1A1MAPTKMT2A
SCHEMBL7798347 0.98 RARB (0.56) RARBMEN1ALDH1A1MAPTKMT2A
SCHEMBL7800495 0.97 RARB (0.54) RARBMEN1ALDH1A1MAPTKMT2A
SCHEMBL7798471 0.95 RARB (0.56) RARBMEN1ALDH1A1MAPTKMT2A
SCHEMBL7798369 0.94 RARB (0.54) RARBMEN1ALDH1A1MAPTKMT2A
SCHEMBL8043703 0.93 RARB (0.50) RARBMEN1ALDH1A1MAPTKMT2A
SCHEMBL9273244 0.93 RARB (0.65) RARBMEN1ALDH1A1MAPTKMT2A
SCHEMBL7798294 0.93 RARB (0.46) RARBMEN1ALDH1A1MAPTKMT2A
SCHEMBL9273888 0.93 RARB (0.65) RARBMEN1ALDH1A1MAPTKMT2A

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