SCHEMBL8084515

SCHEMBL8084515

CCCOc1cccc(OCCOS(C)(=O)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
KAT6A Q92794 3/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
GPBAR1 Q8TDU6 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
MAPK1 P28482 2/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 2/20 0.41
MAPT P10636 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL6277693 0.87 MAPK1 (0.57) KMT2AMAPK1LMNAL3MBTL1TSHR
SCHEMBL7216584 0.82 CA1 (0.48) KMT2ACA1CA2CA7CA9
SCHEMBL6272279 0.82 KDM4E (0.51) KMT2AMAPK1LMNAKDM4E
SCHEMBL237041 0.82 KDM4E (0.51) KMT2ALMNAL3MBTL1MAPTKDM4E
1,3-Dipropoxybenzene SCHEMBL73716 0.82 KMT2A (0.63) KMT2AGPBAR1CYSLTR1MAPK1LMNA
SCHEMBL7010041 0.81 CHRM5 (0.45) L3MBTL1
SCHEMBL7976554 0.80 KCNA3 (0.52) KMT2AL3MBTL1MAPT
SCHEMBL6277285 0.80 KDM4E (0.55) KMT2ALMNATSHRKDM4E
SCHEMBL2139475 0.80 MAOA (0.51) KMT2AL3MBTL1
SCHEMBL10796629 0.78 KMT2A (0.61) KMT2AKAT6AGPBAR1CYSLTR1MAPK1

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-1045826-A1 PROCESS FOR THE PREPARATION OF ISOPROPYL-METHYL- 2-(3-N-PROPOXYPHENOXY)ETHYL]AMINE AstraZeneca AB (SE) 2000-10-25 EP disclosed
WO-1999032430-A1 PROCESS FOR THE PREPARATION OF ISOPROPYL-METHYL-[2-(3-N-PROPOXYPHENOXY)ETHYL]AMINE ASTRAZENECA AB (SE) 1999-07-01 WO disclosed