SCHEMBL7798294

SCHEMBL7798294

CCCCC(C(=O)O)c1ccc(-c2cnc(-c3ccc(CCC)cc3)nc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.46
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GCGR P47871 5/20 0.43
RARA P10276 1/20 0.42
MTOR P42345 1/20 0.42
NPC1 O15118 2/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL7789874 0.96 RARB (0.48) RARBRAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL8043703 0.95 RARB (0.50) RARBRAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL7796712 0.94 RARB (0.54) RARBRAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL7796881 0.93 RARB (0.56) RARBRAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL7800828 0.93 SMN1; SMN2 (0.43) RARBRAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL9267176 0.93 RARB (0.54) RARBRAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL7800495 0.92 RARB (0.54) RARBRAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL7796675 0.91 RARB (0.56) RARBRAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL7798347 0.91 RARB (0.56) RARBRAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL7798369 0.89 RARB (0.54) RARBRAB9ASMN1; SMN2MEN1ALDH1A1

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