SCHEMBL181406

SCHEMBL181406

CCSCCCCCCCCCC[C]=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
CES2 O00748 3/20 0.34
GMNN O75496 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
CYP2C9 P11712 1/20 0.34
BLM P54132 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CA2 P00918 1/20 0.33
FAAH O00519 4/20 0.31
CES1 P23141 4/20 0.31
PLA2G6 O60733 1/20 0.31

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
SCHEMBL6998145 1.00 TSHR (0.41) TSHRCES2GMNNTP53POLB
SCHEMBL9007932 0.98 TSHR (0.40) TSHRCES2GMNNTP53POLB
SCHEMBL27546632 0.98
SCHEMBL10503405 0.90
SCHEMBL10503758 0.84 CES2 (0.47) TSHRCES2GMNNTP53POLB
SCHEMBL10503829 0.84 CES2 (0.47) TSHRCES2GMNNTP53POLB
SCHEMBL10505681 0.84 CES2 (0.47) TSHRCES2GMNNTP53POLB
SCHEMBL10504172 0.84 CES2 (0.47) TSHRCES2GMNNTP53POLB
SCHEMBL10503059 0.84 CES2 (0.47) TSHRCES2GMNNTP53POLB
SCHEMBL10503325 0.84 CES2 (0.47) TSHRCES2GMNNTP53POLB

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-2402356-A2 Modified 2',3'-dideoxynucleosides for treatment infections caused by human immunodeficiency virus (HIV) multidrug resistant strains, method of their synthesis and the pharmaceutical agent containing these nucleosides Instytut Biochemii I Biofizyki Pan (PL) 2012-01-04 EP claimed
EP-2402356-A3 Modified 2',3'-dideoxynucleosides for treatment infections caused by human immunodeficiency virus (HIV) multidrug resistant strains, method of their synthesis and the pharmaceutical agent containing these nucleosides Instytut Biochemii I Biofizyki Pan (PL) 2012-07-18 EP disclosed
EP-2402356-A2 Modified 2',3'-dideoxynucleosides for treatment infections caused by human immunodeficiency virus (HIV) multidrug resistant strains, method of their synthesis and the pharmaceutical agent containing these nucleosides Instytut Biochemii I Biofizyki Pan (PL) 2012-01-04 EP disclosed
EP-2402356-A2 Modified 2',3'-dideoxynucleosides for treatment infections caused by human immunodeficiency virus (HIV) multidrug resistant strains, method of their synthesis and the pharmaceutical agent containing these nucleosides Instytut Biochemii I Biofizyki Pan (PL) 2012-01-04 EP disclosed