SCHEMBL7586557

SCHEMBL7586557

CCc1cc(N(CC(C)O)CC(C)O)ccc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
TLR9 Q9NR96 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MCL1 Q07820 5/20 0.38
HPGD P15428 2/20 0.38
SLC16A3 O15427 1/20 0.38
ALOX15 P16050 1/20 0.38
SLC16A1 P53985 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RECQL P46063 1/20 0.38
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36

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
SCHEMBL1814072 0.82 MEN1 (0.57) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL11155302 0.78 CRHBP (0.42) KMT2ACRHBPCRHR2TLR9HSD17B10
SCHEMBL7877999 0.77 GABRP (0.42) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL41899 0.77 SLC16A3 (0.46) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL7601521 0.77 SLC16A3 (0.46) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL973623 0.77 GABRP (0.37) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL7506757 0.77 ALDH1A1 (0.45) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL7460824 0.77 MEN1 (0.49) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL128616 0.76 ALDH1A1 (0.50) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
Ammonia Solution, Strong SCHEMBL4440047 0.76 SLC16A3 (0.45) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1

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
EP-2662068-B1 OIL-IN-WATER EMULSION COMPOSITION KAO CORP (JP) 2017-07-05 EP claimed
WO-2002030385-A2 ANTI-INFLAMMATORY ACTIVE INGREDIENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-04-18 WO disclosed
EP-0714415-B1 AQUEOUS COPOLYMER DISPERSIONS BASF AG (DE) 1998-06-17 EP disclosed
US-5620692-A MIXING WATER, CRUDE OAT OIL AND A PROTENEOUS EMULSIFIER, FORMING MIXTURE, AGITATING, SOLVENT EXTRACTION OF OAT OIL, EVAPORATING THE SOLVENT, WASHING AND DEODERIZING; ULTRAVIOLET RADIATION BLOCKER; ANTIAGING, ANTICANCER AGENT NURTURE, INC. (US) 1997-04-15 US disclosed