SCHEMBL5163027

SCHEMBL5163027

CCc1cc2c(=O)c(C(=O)O)c[nH]c2cc1OCCOCCOCCN

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MDH2 P40926 1/20 0.43
KDM4E B2RXH2 3/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.40
ADRB2 P07550 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 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
Hydrochloric Acid SCHEMBL5191003 0.85 HTT (0.47) HTTALDH1A1HPGDSMN1; SMN2MDH2
Formic Acid SCHEMBL5161456 0.82 HTT (0.44) HTTALDH1A1HPGDSMN1; SMN2MDH2
Trifluoroacetic Acid SCHEMBL5193531 0.76 HTT (0.43) HTTALDH1A1HPGDSMN1; SMN2MDH2
SCHEMBL4963341 0.73 HTT (0.46) HTTALDH1A1HPGDSMN1; SMN2MDH2
SCHEMBL3815366 0.72 PRKAB2 (0.51) HTTALDH1A1HPGDSMN1; SMN2MDH2
SCHEMBL4962848 0.72 HTT (0.47) HTTALDH1A1HPGDSMN1; SMN2MDH2
SCHEMBL6714522 0.72 HTT (0.51) HTTALDH1A1HPGDSMN1; SMN2MDH2
SCHEMBL8913208 0.72 HTT (0.51) HTTALDH1A1HPGDSMN1; SMN2MDH2
SCHEMBL5242756 0.72 HTT (0.49) HTTALDH1A1HPGDSMN1; SMN2MDH2
SCHEMBL9424983 0.70 KDM4E (0.64) HTTALDH1A1HPGDSMN1; SMN2MDH2

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
EP-1756134-A1 CARBAMATE LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GlaxoSmithKline istrazivacki centar Zagreb d.o.o. (HR) 2007-02-28 EP disclosed
WO-2005108413-A1 CARBAMATE LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O (US) 2005-11-17 WO disclosed