SCHEMBL7607623

SCHEMBL7607623

COc1ccc(C(CCNC(Oc2ccc(NS(C)(=O)=O)cc2)C(C)O)c2ccc(OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.44
LMNA P02545 4/20 0.44
KMT2A Q03164 4/20 0.44
ADRB2 P07550 3/20 0.44
ADRB1 P08588 3/20 0.44
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
GLA P06280 1/20 0.44
BLM P54132 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CASR P41180 1/20 0.43
MITF O75030 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL11251333 0.81 NPC1 (0.48) ADRB3LMNAKMT2AADRB2ADRB1
SCHEMBL7609934 0.79 ADRB3 (0.43) ADRB3LMNAKMT2AADRB2ADRB1
Sulfuric Acid SCHEMBL7540439 0.77 SMN1; SMN2 (0.44) LMNAKMT2AMEN1GAAALDH1A1
SCHEMBL7536032 0.76 KMT2A (0.43) ADRB3LMNAKMT2AADRB2ADRB1
SCHEMBL7608796 0.76 ADRB3 (0.60) ADRB3ADRB2ADRB1
SCHEMBL7768377 0.76 SMN1; SMN2 (0.48) LMNAKMT2AMEN1GAAALDH1A1
SCHEMBL7609836 0.76 ADRB3 (0.47) ADRB3LMNAKMT2AADRB2ADRB1
SCHEMBL7607621 0.75 ADRB2 (0.68) ADRB3KMT2AADRB2ADRB1MEN1
Hydrochloric Acid SCHEMBL7764617 0.75 KMT2A (0.46) LMNAKMT2AMEN1MAPK1ALDH1A1
SCHEMBL7605257 0.74 KMT2A (0.41) LMNAKMT2AADRB2ADRB1MEN1

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-1230210-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-14 EP disclosed
WO-2001036375-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-25 WO disclosed