SCHEMBL7106243

SCHEMBL7106243

CCOC(=O)C(OCCCCc1ccccc1)P(=O)(OCC)OCC

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
GAA P10253 1/20 0.41
LPAR1 Q92633 3/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX5 P09917 1/20 0.40
FOLH1 Q04609 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SCN5A Q14524 1/20 0.39
SCN2A Q99250 1/20 0.39
HPRT1 P00492 1/20 0.39
CETP P11597 1/20 0.39

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
SCHEMBL6483396 0.90 POLB (0.44) POLBGAALMNAALOX5FOLH1
SCHEMBL6492056 0.86 POLB (0.46) POLBGAALMNAALOX5CETP
SCHEMBL6784313 0.78 POLB (0.50) POLBGAAMAPTSMN1; SMN2ALOX5
SCHEMBL8330920 0.76 LMNA (0.53) LMNAMAPTSMN1; SMN2ALOX5
SCHEMBL15778088 0.75 POLB (0.52) POLBGAAMAPTSMN1; SMN2MEN1
SCHEMBL8330922 0.73 PPARG (0.50) POLBLMNAMAPTSMN1; SMN2ALOX5
SCHEMBL331957 0.73 CYP3A4 (0.38) POLBGAALMNAMAPT
SCHEMBL1239980 0.73 POLB (0.52) POLBGAASMN1; SMN2MEN1KMT2A
SCHEMBL2023736 0.72 LMNA (0.56) LMNAMAPTSMN1; SMN2ALOX5
SCHEMBL7110468 0.72 ALDH1A1 (0.41) LPAR1LMNASMN1; SMN2MEN1KMT2A

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-20030008361-A1 Process for the preparation of substituted 3-phenyl-propanoic acid esters and substituted 3-phenyl-propanoic acids EBDRUP SOREN (DK) 2003-01-09 US disclosed
CN-1375013-A Process for the preparation of substituted 3-phenyl-propanoic acid esters and substituted 3-phenyl-propanoic acids NOVO NORDISK AS (DK) 2002-10-16 CN disclosed
EP-1206565-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 3-PHENYL-PROPANOIC ACID ESTERS AND SUBSTITUTED 3-PHENYL-PROPANOIC ACIDS NOVO NORDISK A/S (DK) 2002-05-22 EP disclosed
WO-2001011073-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 3-PHENYL-PROPANOIC ACID ESTERS AND SUBSTITUTED 3-PHENYL-PROPANOIC ACIDS NOVO NORDISK A/S (DK) 2001-02-15 WO disclosed