SCHEMBL9693022

SCHEMBL9693022

CC(C)COC(=O)c1ccccc1OCC(O)CSc1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HPGD P15428 1/20 0.56
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 1/20 0.50
NPC1 O15118 1/20 0.50
ADRB2 P07550 2/20 0.45
ADRB1 P08588 2/20 0.45
ADRB3 P13945 2/20 0.45
LMNA P02545 2/20 0.43
ABCB1 P08183 2/20 0.42
GRM2 Q14416 1/20 0.42
MAPK10 P53779 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL9124632 0.86 TSHR (0.58) TSHRMEN1KMT2AHPGDRAB9A
SCHEMBL9690575 0.86 TSHR (0.49) TSHRMEN1KMT2AHPGDRAB9A
SCHEMBL9693018 0.82 RAB9A (0.62) TSHRMEN1KMT2AHPGDRAB9A
Hydrochloric Acid SCHEMBL9124081 0.81 TP53 (0.45) TSHRMEN1KMT2ARAB9AALDH1A1
SCHEMBL28020498 0.79 ALDH1A1 (0.74) TSHRMEN1KMT2ARAB9AALDH1A1
SCHEMBL9124271 0.79 RAB9A (0.47) TSHRMEN1KMT2AHPGDRAB9A
SCHEMBL9125661 0.79 APEX1 (0.51) TSHRMEN1KMT2AHPGDRAB9A
SCHEMBL9124622 0.78 TP53 (0.45) TSHRRAB9AALDH1A1NPC1ADRB2
SCHEMBL9122797 0.77 ALDH1A1 (0.44) TSHRMEN1KMT2ARAB9AALDH1A1
SCHEMBL9692380 0.76 ALDH1A1 (0.41) TSHRMEN1KMT2ARAB9AALDH1A1

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-0520552-A1 Derivatives of (hetero) aromatic ethers and thioethers having antihyperlipidemic activity, process for their preparation and pharmaceutical compositions containing them PIERREL S.p.A. (IT) 1992-12-30 EP claimed
EP-0520552-A1 Derivatives of (hetero) aromatic ethers and thioethers having antihyperlipidemic activity, process for their preparation and pharmaceutical compositions containing them PIERREL S.p.A. (IT) 1992-12-30 EP disclosed