SCHEMBL7184057

SCHEMBL7184057

C=C(C)C(=O)OC(C)Oc1ccccc1.CC(O)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.41
MTNR1B P49286 4/20 0.41
ELANE P08246 1/20 0.41
GAA P10253 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 1/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL21370 0.94 MTNR1A (0.45) MTNR1AMTNR1BELANEGAACYP1A2
Methacrylic Acid SCHEMBL25394729 0.91 MTNR1A (0.43) MTNR1AMTNR1BELANEGAACYP1A2
SCHEMBL1264237 0.86 MTNR1A (0.42) MTNR1AMTNR1BELANEGAACYP1A2
SCHEMBL7564773 0.85 ELANE (0.41) MTNR1AMTNR1BELANEGAACYP1A2
SCHEMBL9807299 0.85 CYP1A2 (0.55) ELANEGAACYP1A2CYP2C9PKM
SCHEMBL9994926 0.84 THRB (0.39) MTNR1AMTNR1BELANEGAACYP1A2
SCHEMBL65347 0.84 MTNR1A (0.41) MTNR1AMTNR1BELANELMNAMEN1
Methacrylic Acid SCHEMBL8425240 0.84 MTNR1A (0.47) MTNR1AMTNR1BELANEGAACYP1A2
SCHEMBL2403088 0.82 ELANE (0.64) ELANEGAAHPGDLMNAKMT2A
SCHEMBL18106793 0.82 ALDH1A1 (0.46) MTNR1AMTNR1BELANELMNAKMT2A

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
EP-1353893-A1 PROCESS FOR THE PREPARATION OF ESTERS OF (METH)ACRYLIC ACID Dsm N.V. (NL) 2003-10-22 EP disclosed
WO-2002055473-A1 PROCESS FOR THE PREPARATION OF ESTERS OF (METH)ACRYLIC ACID DSM IP ASSETS B.V. (NL) 2002-07-18 WO disclosed