SCHEMBL5711999

SCHEMBL5711999

CCC(=O)N1CC(=O)c2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.70
HTT P42858 2/20 0.55
KDM4E B2RXH2 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CES1 P23141 2/20 0.51
KCNN4 O15554 2/20 0.51
KCNA3 P22001 2/20 0.51
ADORA1 P30542 2/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.40
KMT2A Q03164 2/20 0.40
CASP3 P42574 1/20 0.40
CASP2 P42575 1/20 0.40
BLM P54132 2/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL10869086 0.84 LMNA (0.55) NOTUMHTTKDM4ESMN1; SMN2CES1
SCHEMBL1048074 0.82 NOTUM (1.00) NOTUMHTTKDM4ECES1KCNN4
SCHEMBL30003296 0.82 NOTUM (1.00) NOTUMHTTKDM4ECES1KCNN4
SCHEMBL7003872 0.79 NOTUM (0.73) NOTUMHTTKDM4ESMN1; SMN2CES1
SCHEMBL25139324 0.77 KDM4E (0.59) NOTUMHTTKDM4ESMN1; SMN2CES1
SCHEMBL22652710 0.76 KDM4E (0.58) NOTUMHTTKDM4ESMN1; SMN2CES1
SCHEMBL9537965 0.76 CES1 (0.48) NOTUMHTTKDM4ESMN1; SMN2CES1
SCHEMBL9537973 0.76 CES1 (0.48) NOTUMHTTKDM4ESMN1; SMN2CES1
SCHEMBL24455243 0.75 KDM4E (0.57) NOTUMHTTKDM4ESMN1; SMN2CES1
SCHEMBL68111 0.75 KCNN4 (0.68) NOTUMHTTKCNN4KCNA3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432428-B1 Agent for colouring fibres containing keratin HENKEL KGAA (DE) 2006-11-02 EP claimed
EP-1432428-A1 Agent for colouring fibres containing keratin Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 EP claimed
WO-2003030842-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
EP-1432428-B1 Agent for colouring fibres containing keratin HENKEL KGAA (DE) 2006-11-02 EP disclosed
EP-1432428-A1 Agent for colouring fibres containing keratin Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 EP disclosed
WO-2003030842-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO disclosed