SCHEMBL7828558

SCHEMBL7828558

Cc1ccc(C)c(OCC2CN=C(N)O2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 2/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 2/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
CYP2C9 P11712 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36

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
SCHEMBL7836938 0.89 L3MBTL1 (0.41) ALDH1A1HPGDTSHRGLAMAPT
SCHEMBL7828716 0.83 ALDH1A1 (0.58) ALDH1A1GLAMAPTTDP1KDM4E
SCHEMBL7837854 0.83 ALDH1A1 (0.58) ALDH1A1GLAMAPTTDP1KDM4E
SCHEMBL7840000 0.80 GRM2 (0.55) ALDH1A1TSHRTDP1POLB
SCHEMBL3144469 0.79 RAB9A (0.42) ALDH1A1TSHRNPC1RAB9A
SCHEMBL7838599 0.78 SCN4A (0.41) ALDH1A1HPGDTSHRTDP1GAA
SCHEMBL7842079 0.78 ALDH1A1 (0.44) ALDH1A1TSHRGLAMAPTGAA
SCHEMBL3140336 0.77 KDM4E (0.47) ALDH1A1HPGDTSHRGLAMAPT
SCHEMBL7829999 0.76 ADRA2C (0.49) ALDH1A1GLAMAPTKDM4ENPC1
SCHEMBL7840162 0.76 HTR2A (0.49) ALDH1A1GLAMAPTALOX15HSD17B10

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-0710658-B1 5-(Aryloxymethyl)oxazolines, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-10-04 EP claimed
US-5686477-A HYPOTENSIVE AGENTS ADIR ET COMPAGNIE (FR) 1997-11-11 US claimed
EP-0710658-A1 5-(Aryloxymethyl)oxazolines, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-05-08 EP claimed
EP-0710658-B1 5-(Aryloxymethyl)oxazolines, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-10-04 EP disclosed
EP-0710658-A1 5-(Aryloxymethyl)oxazolines, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-05-08 EP disclosed