SCHEMBL1769656

SCHEMBL1769656

COCCC(=O)NCCCC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.63
ALDH1A1 P00352 1/20 0.53
KDM4E B2RXH2 3/20 0.51
LMNA P02545 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 1/20 0.50
MAPT P10636 1/20 0.46
SLC6A5 Q9Y345 1/20 0.46
ATM Q13315 1/20 0.46
ADRA1A P35348 1/20 0.46
EPHX2 P34913 3/20 0.45
PRMT1 Q99873 1/20 0.44

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
SCHEMBL30138611 0.90 TSHR (0.56) TSHRALDH1A1KDM4ELMNAMEN1
SCHEMBL18923939 0.87 TSHR (0.62) TSHRALDH1A1KDM4ELMNAMEN1
SCHEMBL10044367 0.87 TSHR (0.85) TSHRALDH1A1KDM4ELMNAMEN1
SCHEMBL21821634 0.86 TSHR (0.84) TSHRALDH1A1KDM4ELMNAMEN1
SCHEMBL12733524 0.85 TSHR (0.76) TSHRALDH1A1KDM4ELMNAMEN1
SCHEMBL16589858 0.85 TSHR (0.69) TSHRALDH1A1KDM4ELMNAMEN1
SCHEMBL19370866 0.85 TSHR (0.75) TSHRALDH1A1KDM4ELMNAMEN1
SCHEMBL26297954 0.83 ALDH1A1 (0.53) TSHRALDH1A1KDM4ELMNAMEN1
SCHEMBL12686632 0.83 ALDH1A1 (0.62) TSHRALDH1A1KDM4ELMNAMEN1
SCHEMBL15849202 0.83 ALDH1A1 (0.62) TSHRALDH1A1KDM4ELMNAMEN1

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
WO-2011095218-A1 TEMPLATE-FIXED PEP TIDOMIME TICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2011-08-11 WO disclosed
WO-2011060832-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2011-05-26 WO disclosed