SCHEMBL9762927

SCHEMBL9762927

O=C(Oc1ccc(Oc2ccc(Br)cc2F)cc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
PARP10 Q53GL7 2/20 0.47
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 1/20 0.44
NSD2 O96028 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
PDPK1 O15530 1/20 0.41

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
SCHEMBL10437241 0.96 PARP10 (0.46) KMT2AMAPTMEN1TDP1PARP10
SCHEMBL9761752 0.86 PARP10 (0.49) KMT2AMAPTMEN1PARP10CYP1A2
SCHEMBL9763016 0.84 SCN9A (0.38) KMT2AMAPTCYP1A2CYP3A4CYP2C19
SCHEMBL9761680 0.83 PARP10 (0.62) KMT2AMAPTMEN1TDP1PARP10
SCHEMBL1129244 0.81 SLC6A4 (0.50) TDP1ALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL6060174 0.79 PARP10 (0.65) KMT2AMAPTMEN1TDP1PARP10
SCHEMBL10437240 0.79 PARP10 (0.65) KMT2AMAPTMEN1TDP1PARP10
SCHEMBL9762032 0.77 MAPT (0.53) KMT2AMAPTPARP10ALDH1A1L3MBTL1
SCHEMBL10567498 0.77 ESR1 (0.45) KMT2AMAPTTDP1ALDH1A1L3MBTL1
SCHEMBL9809037 0.75 PARP10 (0.69) KMT2AMAPTMEN1TDP1PARP10

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 5 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
WO-1990009979-A1 METHODS FOR THE PREPARATION OF BROMINATED INTERMEDIATES THE DOW CHEMICAL COMPANY (US) 1990-09-07 WO disclosed
EP-0384043-A2 Methods for the preparation of brominated intermediates THE DOW CHEMICAL COMPANY (US) 1990-08-29 EP 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