SCHEMBL13865100

SCHEMBL13865100

O=C(COCCN(CCO)CCO)NCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
HPGD P15428 5/20 0.52
SMN1; SMN2 Q16637 1/20 0.47
RAB9A P51151 1/20 0.47
TSHR P16473 2/20 0.47
RECQL P46063 1/20 0.47
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 3/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL13865134 0.88 KMT2A (0.51) KMT2AHPGDSMN1; SMN2RAB9ATSHR
SCHEMBL29175057 0.86 TAAR1 (0.48) SMN1; SMN2RAB9AGAAMAPTALDH1A1
SCHEMBL11613615 0.85 KMT2A (0.61) KMT2AHPGDSMN1; SMN2RAB9ATSHR
SCHEMBL9125404 0.78 HPGD (0.59) KMT2AHPGDSMN1; SMN2RAB9ATSHR
SCHEMBL14112017 0.76 KMT2A (0.65) KMT2AHPGDSMN1; SMN2RAB9ATSHR
SCHEMBL13865117 0.75 MAPT (0.52) KMT2AHPGDSMN1; SMN2RAB9AGAA
SCHEMBL7527675 0.74 MAPT (0.64) KMT2AHPGDSMN1; SMN2RAB9AGAA
SCHEMBL9124359 0.74 KMT2A (0.63) KMT2AHPGDSMN1; SMN2RAB9ATSHR
SCHEMBL2332155 0.74 TSHR (0.56) KMT2ASMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL28428860 0.74 TSHR (0.56) KMT2ASMN1; SMN2TSHRLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009057133-A2 A PROCESS FOR THE SYNTHESIS OF 2-[2-[4-[(4-CHLOROPHENYL)PHENYL METHYL]-1-PIPERAZINYL] ETHOXY ACETIC ACID GLENMARK GENERICS LIMITED (IN) 2009-05-07 WO disclosed