SCHEMBL5712014

SCHEMBL5712014

CC(=O)N1CC(=O)c2cc(C(=O)O)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.58
KCNN4 O15554 1/20 0.43
KCNA3 P22001 1/20 0.43
POLB P06746 3/20 0.43
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
MYC P01106 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ESR1 P03372 1/20 0.41
ALOX15 P16050 1/20 0.41
PTPN7 P35236 1/20 0.41
KMT2A Q03164 1/20 0.41
TTR P02766 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA9 Q16790 1/20 0.40
PTPRC P08575 2/20 0.40
ALDH1A1 P00352 1/20 0.40
RECQL P46063 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
SCHEMBL5712023 0.80 NOTUM (0.62) NOTUMKCNN4KCNA3HSD17B10KMT2A
SCHEMBL5712019 0.80 NOTUM (0.50) NOTUMHSD17B10ESR1ALOX15KMT2A
SCHEMBL5712043 0.79 NOTUM (0.60) NOTUMKCNN4KCNA3MYCKMT2A
SCHEMBL5712058 0.79 NOTUM (0.60) NOTUMKCNN4KCNA3MYC
SCHEMBL5712056 0.76 NOTUM (0.57) NOTUMHSD17B10CA1CA2CA4
SCHEMBL15890863 0.75 NOTUM (0.46) NOTUMPOLBNR1H2NR1H3HSD17B10
SCHEMBL15890864 0.75 NOTUM (0.46) NOTUMPOLBNR1H2NR1H3HSD17B10
SCHEMBL1048074 0.74 NOTUM (1.00) NOTUMKCNN4KCNA3ALDH1A1LMNA
SCHEMBL7606894 0.74 POLB (0.45) NOTUMPOLBHSD17B10ALDH1A1RECQL
SCHEMBL1973741 0.71 NOTUM (0.54) NOTUMALDH1A1HPGD

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