SCHEMBL8530952

SCHEMBL8530952

CC(C)(C)ON(C=O)[C@H](COS(C)(=O)=O)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
OPRK1 P41145 4/20 0.34
OPRM1 P35372 3/20 0.34
OPRD1 P41143 2/20 0.34
MEN1 O00255 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP24A1 Q07973 1/20 0.32
ATM Q13315 1/20 0.32
TSHR P16473 1/20 0.31
EPHX1 P07099 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2A P28223 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL6400372 0.80 OPRK1 (0.40) KMT2AOPRK1OPRM1OPRD1MEN1
SCHEMBL4729192 0.80 OPRK1 (0.40) KMT2AOPRK1OPRM1OPRD1MEN1
SCHEMBL4895988 0.78 OPRK1 (0.38) KMT2AOPRK1OPRM1OPRD1MEN1
SCHEMBL8827814 0.74 TAAR1 (0.38) KMT2AOPRK1OPRM1OPRD1MEN1
SCHEMBL6165008 0.74 TAAR1 (0.38) KMT2AOPRK1OPRM1OPRD1MEN1
SCHEMBL28438381 0.73 CSNK1E (0.40) OPRK1OPRM1OPRD1EPHX1
SCHEMBL28233244 0.72 CYP1A2 (0.41) OPRK1OPRM1OPRD1ALDH1A1ATM
SCHEMBL4782265 0.71 MAOB (0.41) KMT2AMEN1ALDH1A1
SCHEMBL6401312 0.71 CA1 (0.40) NPSR1
SCHEMBL4730804 0.70 SMN1; SMN2 (0.37) KMT2AMEN1ALDH1A1ATMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0460679-B1 Endothelin antagonistic peptide derivatives BANYU PHARMA CO LTD (JP) 1998-10-28 EP disclosed
US-5691315-A CARDIOVASCULAR DISORDERS; VASODILATOR; BRONCHODILATOR BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-11-25 US disclosed
US-5470833-A Vasodilators, bronchodilators BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-11-28 US disclosed
US-5444152-A Vasolidator or bronchodilator BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-22 US disclosed
EP-0460679-A2 Endothelin antagonistic peptide derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-12-11 EP disclosed