SCHEMBL4598030

SCHEMBL4598030

C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.44
MAPT P10636 2/20 0.44
CTSK P43235 4/20 0.43
CTSS P25774 3/20 0.43
POLB P06746 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
TP53 P04637 1/20 0.42
KMT2A Q03164 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL4381767 1.00 ATM (0.44) ATMMAPTCTSKCTSSPOLB
SCHEMBL30890670 1.00 ATM (0.44) ATMMAPTCTSKCTSSPOLB
SCHEMBL7647992 0.84 CTSS (0.43) ATMMAPTCTSKCTSSGABRA1
SCHEMBL5306681 0.83 GABRA1 (0.48) POLBGABRA1GABRB2KMT2AMAPKAPK2
SCHEMBL25472039 0.83 HTT (0.56) ATMMAPTCTSKCTSSKMT2A
SCHEMBL31733639 0.83 HTT (0.56) ATMMAPTCTSKCTSSKMT2A
SCHEMBL1343848 0.83 HTT (0.56) ATMMAPTCTSKCTSSKMT2A
SCHEMBL3820956 0.83 ATM (0.43) ATMMAPTCTSKCTSSKMT2A
SCHEMBL31048703 0.83 HTT (0.56) ATMMAPTCTSKCTSSKMT2A
SCHEMBL4596352 0.83 ATM (0.43) ATMMAPTCTSKCTSSKMT2A

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