SCHEMBL7743753

SCHEMBL7743753

CC(=O)OC(=CP(=O)(O)O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ELANE P08246 1/20 0.40
CES2 O00748 3/20 0.38
CES1 P23141 3/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 4/20 0.38
TSHR P16473 3/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AKT1 P31749 1/20 0.37
CYP3A4 P08684 1/20 0.37
F2 P00734 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL9848557 0.80 ELANE (0.46) MEN1KMT2AELANECES2CES1
SCHEMBL9848566 0.80 ELANE (0.46) MEN1KMT2AELANECES2CES1
SCHEMBL29180078 0.80 ELANE (0.46) MEN1KMT2AELANECES2CES1
SCHEMBL6936445 0.78 ELANE (0.44) MEN1KMT2AELANECES2CES1
SCHEMBL11421430 0.77 ELANE (0.43) MEN1KMT2AELANECES2CES1
SCHEMBL11421432 0.77 ELANE (0.43) MEN1KMT2AELANECES2CES1
SCHEMBL21086761 0.75 ELANE (0.42) MEN1KMT2AELANECES2CES1
SCHEMBL4982106 0.75 AKR1C3 (0.50) MEN1KMT2AELANEKDM4ETDP1
SCHEMBL10006253 0.75 AKR1C3 (0.50) MEN1KMT2AELANEKDM4ETDP1
SCHEMBL9333553 0.74 CES1 (0.44) MEN1KMT2AELANECES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6429329-B1 PHOSPHONATION OF ALDEHYDE OR KETONE WITH HYDROCARBYL PHOSPHITE IN PRESENCE OF BASIC CATALYST TO FORM 1-HYDROXY HYDROCARBYLPHOSPHONATE; ESTERIFICATION WITH ACETIC ANHYDRIDE USING ACID CATALYST; CARBOXYLIC ACID REMOVAL AKZO NOBEL NV (NL) 2002-08-06 US claimed
WO-1996024599-A1 SYNTHESIS OF A HYDROCARBYLVINYL PHOSPHONIC ACID HYDROCARBYL ESTER AKZO NOBEL N.V. (NL) 1996-08-15 WO claimed