SCHEMBL2125481

SCHEMBL2125481

O=C(c1ccccc1)C(OC1CCCCO1)c1ccc(OC2CC(O)CCO2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
SLC6A3 Q01959 4/20 0.34
TNK2 Q07912 1/20 0.34
POLB P06746 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
PTGER4 P35408 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL54014 0.84 SLC6A3 (0.46) KMT2AMEN1SLC6A3POLBNPC1
SCHEMBL10918428 0.73 SLC6A3 (0.50) KMT2AMEN1SLC6A3MAPTALDH1A1
SCHEMBL10391386 0.73 SLC6A3 (0.49) KMT2AMEN1SLC6A3ALDH1A1CYP3A4
SCHEMBL10827630 0.72 MEN1 (0.45) KMT2AMEN1SLC6A3ALDH1A1PTGER4
SCHEMBL11767308 0.72 ELANE (0.52) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL7860591 0.71 MEN1 (0.45) KMT2AMEN1SLC6A3TNK2NPC1
SCHEMBL10827795 0.70 MEN1 (0.43) KMT2AMEN1SLC6A3MAPTALDH1A1
SCHEMBL5071034 0.70 LMNA (0.51) KMT2AMEN1SLC6A3RAB9AMAPT
SCHEMBL1743566 0.69 SLC6A3 (0.61) KMT2ASLC6A3ALDH1A1HPGD
SCHEMBL14233517 0.69 SLC6A3 (0.61) KMT2ASLC6A3ALDH1A1HPGD

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-2442807-A1 TREATMENT OF HOT FLUSHES, VASOMOTOR SYMPTOMS, AND NIGHT SWEATS WITH SEX STEROID PRECURSORS IN COMBINATION WITH SELECTIVE ESTROGEN RECEPTOR MODULATORS Endorecherche, Inc. (CA) 2012-04-25 EP disclosed
WO-2010145010-A1 TREATMENT OF HOT FLUSHES, VASOMOTOR SYMPTOMS, AND NIGHT SWEATS WITH SEX STEROID PRECURSORS IN COMBINATION WITH SELECTIVE ESTROGEN RECEPTOR MODULATORS ENDORECHERCHE, INC. (CA) 2010-12-23 WO disclosed