SCHEMBL8024062

SCHEMBL8024062

CC(=O)OCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.72
FFAR1 O14842 3/20 0.54
FFAR4 Q5NUL3 1/20 0.54
PPARG P37231 1/20 0.54
MMP2 P08253 1/20 0.54
LTA4H P09960 2/20 0.53
SRD5A2 P31213 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.50
NR1H2 P55055 1/20 0.48
BAX Q07812 1/20 0.48
TOP2A P11388 1/20 0.48
TOP2B Q02880 1/20 0.48
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
CRHBP P24387 1/20 0.47
RAB9A P51151 1/20 0.47
CRHR2 Q13324 1/20 0.47
MAOB P27338 1/20 0.47
MAPK14 Q16539 1/20 0.47

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
Anisole SCHEMBL5689485 0.88 ALDH1A1 (0.70) ALDH1A1FFAR1MMP2LTA4HSMN1; SMN2
SCHEMBL24063952 0.86 ALDH1A1 (0.72) ALDH1A1FFAR1FFAR4PPARGSMN1; SMN2
SCHEMBL2966035 0.85 ALDH1A1 (0.66) ALDH1A1FFAR1FFAR4MMP2
E1501 SCHEMBL28201296 0.85 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A
E1501 SCHEMBL14031569 0.85 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A
E1501 SCHEMBL43745 0.85 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A
E1501 SCHEMBL901210 0.85 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL13034091 0.84 ALDH1A1 (0.76) ALDH1A1FFAR1FFAR4LTA4HSRD5A2
SCHEMBL13686080 0.84 ALDH1A1 (0.55) ALDH1A1SRD5A2SMN1; SMN2HPGDRAB9A
SCHEMBL2428699 0.83 ALDH1A1 (0.50) ALDH1A1FFAR1FFAR4PPARGMMP2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-52125137-A None JP disclosed
US-7772237-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2010-08-10 US disclosed
EP-0548774-B1 Process for producing a lactone or an ester SUMITOMO CHEMICAL CO (JP) 2000-03-15 EP disclosed
US-5405974-A Reacting a ketone, oxygen, an aromatic aldehyde using an aromatic solvent SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-04-11 US disclosed
EP-0548774-A1 Process for producing a lactone or an ester SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-06-30 EP disclosed
US-4248976-A COMPRISING A PHOSPHORUS COMPOUND AND AN AROMATIC COMPOUND CIBA-GEIGY AG (CH) 1981-02-03 US disclosed
US-4207224-A Plastics composition CIBA-GEIGY AG (CH) 1980-06-10 US disclosed
US-4172858-A Flame-resistant polymer compositions CIBA-GEIGY AG (CH) 1979-10-30 US disclosed
JP-S52125137-A OXIDATION OF P-PHENOXYTOLUENE KURARAY CO LTD 1977-10-20 JP disclosed