SCHEMBL4597214

SCHEMBL4597214

Cc1cccc([C@@H](C)NC(=O)OC(C)(C)C)c1O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KMT2A Q03164 1/20 0.39
ATM Q13315 2/20 0.39
MAPT P10636 1/20 0.39
CTSK P43235 3/20 0.39
AAK1 Q2M2I8 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CTSS P25774 1/20 0.38
LCK P06239 1/20 0.38

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
SCHEMBL25130919 0.87 TSHR (0.46) TSHRHSD17B10KMT2AATMMAPT
SCHEMBL4598146 0.84 TSHR (0.44) TSHRHSD17B10KMT2AATMMAPT
SCHEMBL31692875 0.84 HTT (0.43) TSHRHSD17B10KMT2AATMMAPT
SCHEMBL31692854 0.84 CTSK (0.40) TSHRHSD17B10KMT2AATMMAPT
SCHEMBL17041300 0.83 TSHR (0.43) TSHRHSD17B10KMT2AATMMAPT
SCHEMBL31693042 0.82 LMNA (0.45) TSHRHSD17B10KMT2AATMMAPT
SCHEMBL31692869 0.82 LMNA (0.45) TSHRHSD17B10KMT2AATMMAPT
SCHEMBL4381767 0.81 ATM (0.44) TSHRHSD17B10KMT2AATMMAPT
SCHEMBL4598030 0.81 ATM (0.44) TSHRHSD17B10KMT2AATMMAPT
SCHEMBL30890670 0.81 ATM (0.44) TSHRHSD17B10KMT2AATMMAPT

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-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO disclosed