SCHEMBL7694445

SCHEMBL7694445

COC=C(Oc1ccccc1COc1ccccc1C)C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
RECQL P46063 1/20 0.44
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NOTUM Q6P988 1/20 0.39
POLB P06746 1/20 0.39
SLC1A5 Q15758 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7694443 1.00 NPSR1 (0.44) NPSR1RECQLCDK4CCND1RXRA
SCHEMBL7694447 0.90 NPSR1 (0.46) NPSR1RECQLCDK4CCND1RXRA
SCHEMBL7692264 0.88 RECQL (0.46) RECQLPTGDR2MAPTCYP1A2L3MBTL1
SCHEMBL7693116 0.85 TDP1 (0.42) NPSR1TDP1ALDH1A1CYP1A2L3MBTL1
SCHEMBL7693114 0.85 TDP1 (0.42) NPSR1TDP1ALDH1A1CYP1A2L3MBTL1
SCHEMBL28864441 0.84 RXRA (0.48) NPSR1RECQLCDK4CCND1RXRA
SCHEMBL7693814 0.80 TSHR (0.39) MEN1KMT2A
SCHEMBL7693812 0.80 TSHR (0.39) MEN1KMT2A
SCHEMBL7754241 0.77 FOLH1 (0.40) ALDH1A1L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL7754234 0.77 FOLH1 (0.40) ALDH1A1L3MBTL1MEN1KMT2ASMN1; SMN2

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
US-6337306-B1 HERBICIDES FOR AGRICULTURE RHONE-POULENC AGRO (FR) 2002-01-08 US disclosed
EP-0961766-A1 PHENOXYACETIC ACID DERIVATIVES AND THEIR USE AS HERBICIDES Rhone Poulenc Agro (FR) 1999-12-08 EP disclosed
WO-1998034898-A1 PHENOXYACETIC ACID DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRO (FR) 1998-08-13 WO disclosed