SCHEMBL5173129

SCHEMBL5173129

CNC(=O)[C@H](C(N)=O)c1ccc(OC(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.57
PARP10 Q53GL7 1/20 0.53
KMT2A Q03164 3/20 0.46
ACACB O00763 3/20 0.44
ACACA Q13085 1/20 0.44
CNR2 P34972 1/20 0.43
ALDH1A1 P00352 7/20 0.43
TP53 P04637 4/20 0.43
LMNA P02545 3/20 0.43
GAA P10253 2/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.43
PNLIP P16233 1/20 0.43
POLB P06746 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 3/20 0.41
NLRP1 Q9C000 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL5173273 0.76 SMN1; SMN2 (0.47) GLAPARP10KMT2AACACBALDH1A1
SCHEMBL6162357 0.75 LMNA (0.51) KMT2AALDH1A1LMNAPOLBKDM4E
SCHEMBL9055207 0.75 LMNA (0.51) KMT2AALDH1A1LMNAPOLBKDM4E
SCHEMBL5170764 0.74 TSHR (0.59) KMT2AMEN1POLBMAPT
SCHEMBL5188506 0.73 GLA (1.00) GLAPARP10KMT2AALDH1A1TP53
SCHEMBL630685 0.72 POLB (0.55) GLAPARP10KMT2AACACBALDH1A1
SCHEMBL12410415 0.71 GLA (0.67) GLAPARP10KMT2AALDH1A1TP53
SCHEMBL6573647 0.71 UGT2B7 (0.47) GAACYP2D6SMN1; SMN2
SCHEMBL6575278 0.71 UGT2B7 (0.47) GAACYP2D6SMN1; SMN2
SCHEMBL6832627 0.71 ALDH1A1 (0.49) KMT2AALDH1A1TP53LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778637-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF Aventis Pharmaceuticals, Inc. (US) 2007-05-02 EP claimed
WO-2006012256-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2006-02-02 WO claimed
EP-1778637-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF Aventis Pharmaceuticals, Inc. (US) 2007-05-02 EP disclosed
WO-2006012256-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2006-02-02 WO disclosed