SCHEMBL7796725

SCHEMBL7796725

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
LMNA P02545 1/20 0.50
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
MAP4K4 O95819 1/20 0.48
RARB P10826 3/20 0.48
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
P4HTM Q9NXG6 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 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
SCHEMBL7798318 0.94 RARB (0.55) FFAR1L3MBTL1LMNARAB9ASMN1; SMN2
SCHEMBL7796700 0.92 RARB (0.52) FFAR1L3MBTL1RAB9ASMN1; SMN2NPC1
SCHEMBL7800833 0.90 RARB (0.54) FFAR1L3MBTL1RAB9ASMN1; SMN2NPC1
SCHEMBL7796867 0.90 RARB (0.61) FFAR1RAB9ASMN1; SMN2NPC1RARB
SCHEMBL7798299 0.89 RARB (0.56) L3MBTL1RAB9ASMN1; SMN2NPC1TP53
SCHEMBL7799543 0.89 RARB (0.64) FFAR1RAB9ASMN1; SMN2NPC1RARB
SCHEMBL7789878 0.89 RARB (0.56) L3MBTL1RAB9ASMN1; SMN2NPC1TP53
SCHEMBL8043704 0.89 RARB (0.56) L3MBTL1RAB9ASMN1; SMN2NPC1TP53
SCHEMBL7798375 0.88 ALDH1A1 (0.53) L3MBTL1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL7789745 0.86 RARB (0.59) FFAR1L3MBTL1LMNARAB9ASMN1; 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 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