SCHEMBL9761752

SCHEMBL9761752

O=C(c1ccccc1)c1ccc(Oc2ccc(Br)cc2F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.49
POLB P06746 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
SRD5A2 P31213 3/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47
MAPT P10636 2/20 0.44
ELANE P08246 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
IGFBP3 P17936 1/20 0.43
TTR P02766 1/20 0.43
PDPK1 O15530 1/20 0.43

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
SCHEMBL9762927 0.86 KMT2A (0.47) PARP10CYP1A2CYP2C19MAPTMEN1
SCHEMBL10437241 0.85 PARP10 (0.46) PARP10CYP2C19MAPTMEN1KMT2A
SCHEMBL9762786 0.85 IGFBP3 (0.42) PARP10POLBHPGDSRD5A2MAPT
SCHEMBL1129244 0.83 SLC6A4 (0.50) CYP1A2CYP2C19MAPK1TTRKCNQ3
SCHEMBL28033210 0.82 SRD5A2 (0.50) POLBCYP1A2CYP2D6HPGDCYP2C19
SCHEMBL9762032 0.82 MAPT (0.53) PARP10HPGDMAPTLMNAMAPK1
SCHEMBL10585296 0.82 PTGDR2 (0.52) POLBCYP1A2CYP2D6HPGDCYP2C19
SCHEMBL9762139 0.82 PARP10 (0.71) PARP10POLBSRD5A2ELANE
SCHEMBL9762780 0.77 MEN1 (0.45) HPGDMAPTMEN1LMNAMAPK1
SCHEMBL31164290 0.76 SRD5A2 (0.72) PARP10POLBSRD5A2MAPTELANE

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