SCHEMBL9762708

SCHEMBL9762708

O=Cc1ccc(Oc2ccc(Br)cc2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.42
POLB P06746 2/20 0.41
CASP6 P55212 1/20 0.41
HSPB1 P04792 1/20 0.41
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PARP10 Q53GL7 1/20 0.39
PARP3 Q9Y6F1 1/20 0.39
CYP2A6 P11509 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SLC6A4 P31645 1/20 0.37
DRD1 P21728 1/20 0.37
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL26236493 0.86 TTR (0.50) TTRPOLBCASP6HSPB1ALDH1A1
SCHEMBL6142763 0.83 HSPB1 (0.58) TTRPOLBCASP6HSPB1ALDH1A1
SCHEMBL755560 0.81 TTR (0.47) TTRPOLBCASP6ALDH1A1KDM4E
SCHEMBL6142365 0.81 POLB (0.48) TTRPOLBCASP6HSPB1ALDH1A1
SCHEMBL9560716 0.81 TTR (0.45) TTRPOLBCASP6ALDH1A1KDM4E
SCHEMBL30378054 0.81 TTR (0.47) TTRPOLBCASP6ALDH1A1KDM4E
SCHEMBL17521500 0.81 CYP2A6 (0.47) TTRPOLBCASP6HSPB1ALDH1A1
SCHEMBL756589 0.80 SLC6A4 (0.43) TTRALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL30816847 0.80 ALDH1A1 (0.51) TTRPOLBCASP6HSPB1ALDH1A1
SCHEMBL6142767 0.80 ALDH1A1 (0.51) TTRPOLBCASP6HSPB1ALDH1A1

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
US-5012017-A Peroxide oxidation of halogenated phenoxyphenones to phenoxyophenyl esters, then conversions to phenoxyphenols DOWELANCO (US) 1991-04-30 US disclosed
CN-1034917-A The preparation method of (phenoxy group phenoxy group) propionic acid ester DOW CHEMICAL CO (US) 1989-08-23 CN disclosed
WO-1989006227-A1 PHENOXYPHENOXYPROPIONATES, INTERMEDIATES THEREOF AND METHODS OF PREPARATION THE DOW CHEMICAL COMPANY (US) 1989-07-13 WO disclosed
EP-0322983-A1 Phenoxyphenoxypropionates, intermediates thereof and methods of preparation THE DOW CHEMICAL COMPANY (US) 1989-07-05 EP disclosed