SCHEMBL7183378

SCHEMBL7183378

CC(C)(C)[Si](C)(C)OC(CCc1ccccc1)(CNC(=O)C(CNC(=O)N1CCOCC1)C1CCCCC1)c1nc2ccccc2o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.41
CTSL P07711 5/20 0.35
CTSB P07858 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
CTSK P43235 2/20 0.33
HTT P42858 1/20 0.33
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
KCNH2 Q12809 1/20 0.33
SMO Q99835 1/20 0.33
TACR2 P21452 1/20 0.32
TACR3 P29371 1/20 0.32
TSHR P16473 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32

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
SCHEMBL7045974 0.86 CTSS (0.43) CTSSCTSLCTSBLMNAMAPT
SCHEMBL6464253 0.79 TSHR (0.37) CTSSLMNAMAPTMEN1ALDH1A1
SCHEMBL7043453 0.74 LMNA (0.43) CTSSCTSLLMNAMAPTMEN1
SCHEMBL6466282 0.74 LMNA (0.39) CTSSLMNAMAPTMEN1KMT2A
SCHEMBL6467035 0.72 LMNA (0.47) LMNAMAPTMEN1ALDH1A1KMT2A
SCHEMBL6063094 0.72 CTSS (0.47) CTSSLMNAMEN1ALDH1A1KMT2A
SCHEMBL6462894 0.71 MEN1 (0.38) CTSSCTSLCTSBLMNAMAPT
SCHEMBL7047935 0.71 LMNA (0.37) CTSSLMNAMAPTMEN1ALDH1A1
SCHEMBL7048360 0.71 HTT (0.45) LMNAMAPTMEN1KMT2AHTT
SCHEMBL7049029 0.70 RAB9A (0.38) CTSSCTSLCTSBLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 US disclosed