SCHEMBL7836979

SCHEMBL7836979

CC(C)(C)OC(=O)NC[C@@H](O)Cc1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.54
CTSK P43235 5/20 0.54
SYK P43405 1/20 0.46
ATM Q13315 1/20 0.43
MIF P14174 2/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
OPRM1 P35372 3/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
GAA P10253 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
NQO2 P16083 1/20 0.41
SERPINE1 P05121 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
SCHEMBL10188447 0.87 ATM (0.56) CTSSCTSKSYKATMCTSL
SCHEMBL14974845 0.86 LDHA (0.48) SYKATM
SCHEMBL22153160 0.84 CTSS (0.53) CTSSCTSKSYKOPRM1
SCHEMBL29333309 0.83 ATM (0.60) CTSSCTSKSYKATMOPRM1
SCHEMBL20425275 0.82 SYK (0.53) SYKATMADRB2ADRB1ADRB3
SCHEMBL20805990 0.82 CTSS (0.51) CTSSCTSKSYKATMMIF
SCHEMBL13633798 0.81 CTSS (0.50) CTSSCTSKSYKATMMIF
SCHEMBL17592938 0.80 CTSS (0.49) CTSSCTSKSYKESR1ESR2
SCHEMBL3900446 0.80 PPARG (0.46) CTSSCTSKSYKATMCTSL
SCHEMBL1553366 0.79 SMN1; SMN2 (0.51) CTSSCTSKSYKMIFADRB2

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-1140849-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2000040560-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 WO disclosed