SCHEMBL7764640

SCHEMBL7764640

CC(O)C(Oc1ccccc1)N(CCC(c1ccc(C(=O)O)cc1)c1ccc(C(=O)O)cc1)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 7/20 0.41
LPAR5 Q9H1C0 7/20 0.41
TAS2R14 Q9NYV8 4/20 0.41
SRD5A2 P31213 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
OPRD1 P41143 1/20 0.39
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PTGES O14684 2/20 0.38
NPC1 O15118 1/20 0.38
PLIN1 O60240 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
GSTO1 P78417 1/20 0.38
PLIN5 Q00G26 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL7769464 0.90 CASR (0.46) LPAR1LPAR5KMT2AMEN1MAPT
SCHEMBL7610980 0.87 MEN1 (0.44) KMT2AMEN1OPRD1MAPTSMN1; SMN2
SCHEMBL7764648 0.86 KMT2A (0.47) KMT2AMEN1OPRD1MAPTSMN1; SMN2
SCHEMBL7611484 0.86 ALDH1A1 (0.38) KMT2AMEN1OPRD1MAPTSMN1; SMN2
SCHEMBL7768607 0.84 SMN1; SMN2 (0.44) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL6027885 0.79 SMN1; SMN2 (0.46) KMT2AMEN1OPRD1SMN1; SMN2PTGES
SCHEMBL7612302 0.76 ALOX5 (0.45) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL13025048 0.75 OPRK1 (0.45) TAS2R14KMT2AMEN1OPRD1MAPT
SCHEMBL7609951 0.74 SMN1; SMN2 (0.36) KMT2AMEN1OPRD1MAPTSMN1; SMN2
SCHEMBL7605451 0.74 ALDH1A1 (0.44) KMT2AMEN1MAPTSMN1; SMN2NPC1

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-1107944-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-20 EP disclosed
WO-2000012462-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-03-09 WO disclosed