SCHEMBL7798375

SCHEMBL7798375

CCCc1ccc(-c2ncc(-c3ccc(CC(=O)O)cc3)cn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 2/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 2/20 0.49
ABCC4 O15439 1/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
PTGS1 P23219 1/20 0.49
HTT P42858 1/20 0.49
RARB P10826 7/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL7796884 0.93 RARB (0.56) ALDH1A1HPGDHSD17B10RAB9ASMN1; SMN2
SCHEMBL7798474 0.90 ALDH1A1 (0.68) ALDH1A1HPGDHSD17B10RAB9ASMN1; SMN2
SCHEMBL7796671 0.89 ALDH1A1 (0.66) ALDH1A1HPGDHSD17B10RAB9ASMN1; SMN2
SCHEMBL7796725 0.88 FFAR1 (0.54) ALDH1A1HPGDHSD17B10RAB9ASMN1; SMN2
SCHEMBL7796700 0.86 RARB (0.52) ALDH1A1HPGDHSD17B10RAB9ASMN1; SMN2
SCHEMBL10620525 0.86 RAB9A (0.56) ALDH1A1HPGDHSD17B10RAB9ASMN1; SMN2
SCHEMBL7800833 0.85 RARB (0.54) ALDH1A1HPGDHSD17B10RAB9ASMN1; SMN2
SCHEMBL7798299 0.83 RARB (0.56) ALDH1A1HPGDHSD17B10RAB9ASMN1; SMN2
SCHEMBL7789878 0.83 RARB (0.56) ALDH1A1HPGDHSD17B10RAB9ASMN1; SMN2
SCHEMBL8043704 0.83 RARB (0.56) ALDH1A1HPGDHSD17B10RAB9ASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6016637-A None JP disclosed
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
JP-H0616637-A AROMATIC FATTY ACID ESTERS F HOFFMANN LA ROCHE AG 1994-01-25 JP 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