SCHEMBL7800799

SCHEMBL7800799

CCCCCCCc1cnc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)nc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.73
ALDH1A1 P00352 5/20 0.63
RAB9A P51151 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
MAPT P10636 3/20 0.58
HPGD P15428 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
HSD17B10 Q99714 2/20 0.58
KDM4E B2RXH2 2/20 0.58
USP2 O75604 1/20 0.58
GAA P10253 1/20 0.58
RARA P10276 2/20 0.57
MTOR P42345 1/20 0.57
NPC1 O15118 3/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
PTPN1 P18031 1/20 0.51
PTPN6 P29350 1/20 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
SCHEMBL7796753 1.00 RARB (0.73) RARBALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL7800795 1.00 RARB (0.73) RARBALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL8131697 0.99 RARB (0.75) RARBALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL7799503 0.99 RARB (0.71) RARBALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL7796671 0.93 ALDH1A1 (0.66) RARBALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL7798474 0.92 ALDH1A1 (0.68) RARBALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL7796884 0.89 RARB (0.56) RARBALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL7796931 0.88 RARB (0.71) RARBALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL7796757 0.88 RARB (0.71) RARBALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL7799535 0.88 RARB (0.71) RARBALDH1A1RAB9ASMN1; SMN2MAPT

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 5 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
US-5393458-A Aromatic esters and liquid crystal mixtures containing same HOFFMANN-LA ROCHE INC. (US) 1995-02-28 US disclosed
US-5326498-A Electrooptics, ferroelectricity HOFFMANN-LA ROCHE INC. (US) 1994-07-05 US 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