SCHEMBL9513067

SCHEMBL9513067

Cc1c(OCc2ccccc2)c(=O)ccn1CCCCCC(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.64
ALDH1A1 P00352 3/20 0.64
HTT P42858 2/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
HPGD P15428 1/20 0.64
NPC1 O15118 1/20 0.59
NPSR1 Q6W5P4 2/20 0.58
PTGER1 P34995 1/20 0.44
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
TSHR P16473 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
PABPC1 P11940 1/20 0.44
CYP2C19 P33261 1/20 0.44
EIF4H Q15056 1/20 0.44
MAPT P10636 2/20 0.42

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
SCHEMBL16625507 1.00 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL9515266 0.95 HTT (0.67) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL8106191 0.90 HTT (0.70) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL8108280 0.88 HTT (0.67) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL30982572 0.87 MEN1 (0.68) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL30982687 0.87 MEN1 (0.68) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL30982746 0.87 MEN1 (0.68) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL8108601 0.87 HTT (0.68) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL6327211 0.87 MEN1 (0.68) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL8102028 0.85 HTT (0.70) SMN1; SMN2ALDH1A1HTTMEN1KMT2A

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-0357150-B1 Pharmaceutical compositions BRITISH TECH GROUP (GB) 1993-12-08 EP disclosed
US-5104865-A IRON COMPLEXES OF HYDROXYPYRIDONES USEFUL FOR TREATING IRON OVERLOAD NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1992-04-14 US disclosed
EP-0138421-B1 HYDROXYPYRIDONE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1990-12-05 EP disclosed
US-4912118-A Therapy for toxic concentration of metal NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1990-03-27 US disclosed
EP-0357150-A1 Pharmaceutical compositions BTG INTERNATIONAL LIMITED (GB) 1990-03-07 EP disclosed
EP-0138421-A2 Hydroxypyridone derivatives and pharmaceutical compositions containing them NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1985-04-24 EP disclosed