SCHEMBL1742604

SCHEMBL1742604

CC(C)(C)OC(=O)N1CCN(CCCc2cc(C(=O)O)nc(C(=O)O)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 5/20 0.51
SIGMAR1 Q99720 4/20 0.49
TLR8 Q9NR97 1/20 0.48
KMT5A Q9NQR1 1/20 0.42
FAAH O00519 3/20 0.41
MGLL Q99685 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
OPRM1 P35372 1/20 0.41
SLC2A1 P11166 1/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 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
SCHEMBL1743929 0.87 TLR8 (0.50) ACKR3SIGMAR1TLR8KMT5AADORA3
SCHEMBL103380 0.87 ACKR3 (0.50) ACKR3SIGMAR1TLR8ADORA3HTR2A
SCHEMBL1742612 0.84 ACKR3 (0.49) ACKR3SIGMAR1TLR8KMT5AADORA3
SCHEMBL1744477 0.83 SIGMAR1 (0.50) ACKR3SIGMAR1TLR8ADORA3HTR2A
SCHEMBL7971782 0.82 SIGMAR1 (0.69) ACKR3SIGMAR1FAAHADORA3HTR2A
SCHEMBL1438607 0.81 GPR4 (0.50) ACKR3
SCHEMBL31752794 0.81 SIGMAR1 (0.56) ACKR3SIGMAR1TLR8FAAHADORA3
SCHEMBL12161250 0.80 SIGMAR1 (0.47) ACKR3SIGMAR1TLR8KMT5AADORA3
SCHEMBL27197786 0.80 ACKR3 (0.47) ACKR3CHRM2CHRM4CHRM1CHRM3
SCHEMBL1742600 0.79 SIGMAR1 (0.49) ACKR3SIGMAR1TLR8KMT5A

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-1981889-B1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE SANOFI SA (FR) 2014-01-15 EP disclosed
EP-2386559-A1 Cytotoxiv agents comprising new tomaymycin derivatives and their therapeutic use SANOFI (FR) 2011-11-16 EP disclosed
US-20110254808-A1 REFLECTIVE TOUCH DISPLAY PANEL AND MANUFACTURING METHOD THEREOF AU OPTRONICS CORPORATION (TW) 2011-10-20 US disclosed
EP-2371827-A1 Cytotoxic agents comprising new tomaymycin derivatives and their therapeutic use SANOFI (FR) 2011-10-05 EP disclosed