SCHEMBL9860144

SCHEMBL9860144

CC(C)CCCCOc1ccc(N)cc1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.79
RARB P10826 1/20 0.55
TSHR P16473 1/20 0.50
HTR1A P08908 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
MAPK1 P28482 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
EPHX2 P34913 1/20 0.44
SLC2A1 P11166 1/20 0.42
NFE2L2 Q16236 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 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
SCHEMBL8117340 0.98 TDP1 (0.76) TDP1RARBTSHRHTR1AHTR1D
SCHEMBL293649 0.94 TDP1 (0.81) TDP1RARBTSHRHTR1AHTR1D
SCHEMBL2566452 0.88 TDP1 (1.00) TDP1TSHRMAPK1NPC1RAB9A
Hydrochloric Acid SCHEMBL30293654 0.86 TDP1 (0.96) TDP1TSHRMAPK1NPC1RAB9A
SCHEMBL20021715 0.85 TDP1 (0.56) TDP1RARBHTR1AHTR1DHTR1B
SCHEMBL12879356 0.84 RARB (0.58) TDP1RARBTSHRMAPK1SLC2A1
SCHEMBL563017 0.83 TDP1 (0.61) TDP1TSHRNPC1RAB9AALDH1A1
SCHEMBL23183616 0.82 RARB (0.57) TDP1RARBMAPK1NPC1RAB9A
SCHEMBL20097726 0.82 RARB (0.57) TDP1RARBMAPK1KMT2AEPHX2
SCHEMBL29498388 0.82 TDP1 (0.59) TDP1RARBTSHRHTR1AHTR1D

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-0322643-B1 MEDICINES CONTAINING AS A MIXTURE INTERFERON AND 1-DESOXY-PIPERIDINOSES, PROCESS FOR THEIR MANUFACTURE AND THEIR USE BAYER AG (DE) 1991-07-24 EP disclosed
US-4940705-A VIRICIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-07-10 US disclosed
EP-0322643-A1 Medicines containing as a mixture interferon and 1-desoxy-piperidinoses, process for their manufacture and their use BAYER AG (DE) 1989-07-05 EP disclosed
EP-0313974-A1 N-substituted derivatives of 1-desoxynojirimycine and 1-desoxymannonojirimycine, process for their preparation and their use as pharmaceuticals BAYER AG (DE) 1989-05-03 EP disclosed