SCHEMBL9065358

SCHEMBL9065358

O=C(Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
TDP1 Q9NUW8 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
PRSS1 P07477 1/20 0.57
ACR P10323 1/20 0.57
MAPK14 Q16539 2/20 0.55
PARP10 Q53GL7 1/20 0.54
KMT2A Q03164 7/20 0.53
MEN1 O00255 4/20 0.53
ALDH1A1 P00352 1/20 0.51
PKM P14618 1/20 0.51
RAB9A P51151 2/20 0.49
KIF11 P52732 1/20 0.49
NPC1 O15118 1/20 0.49
LTA4H P09960 1/20 0.48
EPHX2 P34913 1/20 0.48
HSD17B10 Q99714 1/20 0.47
BACE1 P56817 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46

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
SCHEMBL24157322 0.95 MAPT (0.70) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL25919792 0.88 PRSS1 (0.61) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL28639038 0.86 PRSS1 (0.71) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL9682438 0.86 PRSS1 (0.71) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL9809037 0.86 PARP10 (0.69) MAPTTDP1L3MBTL1PARP10KMT2A
SCHEMBL9809043 0.86 PARP10 (0.69) MAPTTDP1L3MBTL1PARP10KMT2A
Benzaldehyde SCHEMBL7535142 0.85 MAPT (0.57) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL11149811 0.84 PARP10 (0.67) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL28641893 0.83 PRSS1 (0.64) MAPTTDP1L3MBTL1PRSS1ACR
SCHEMBL6937463 0.82 MAPT (0.66) MAPTTDP1L3MBTL1PRSS1ACR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0546930-B1 Process for obtaining aryle esters by o-dealkylation and applications POUDRES & EXPLOSIFS STE NALE (FR) 1996-02-14 EP disclosed
US-5283358-A Using an aromatic ether and acyl halide; in presence of hexaalkylguanidinium or tetraalkylphosphonium salt catalyst SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1994-02-01 US disclosed
EP-0546930-A1 Process for obtaining aryle esters by o-dealkylation and applications SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1993-06-16 EP disclosed