SCHEMBL21202227

SCHEMBL21202227

CCN1CCN(CCc2ccc(C(=O)O)o2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.55
▸ ALDH1A1 P00352 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ TDP1 Q9NUW8 2/20 0.47
▸ SIGMAR1 Q99720 1/20 0.46
▸ KMT2A Q03164 2/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ POLB P06746 3/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ HSD11B1 P28845 1/20 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
SCHEMBL21198678 0.90 HTT (0.56) HTTALDH1A1NPSR1TDP1SIGMAR1
SCHEMBL3823611 0.79 HTT (0.70) HTTALDH1A1NPSR1TDP1KMT2A
SCHEMBL4237286 0.77 SIGMAR1 (0.55) ALDH1A1SIGMAR1KMT2A
SCHEMBL25062295 0.77 GAA (0.52) HTTTDP1SIGMAR1KMT2AMAPK1
SCHEMBL13841169 0.76 TDP1 (0.62) HTTALDH1A1TDP1KMT2ANPC1
SCHEMBL25062307 0.75 HTT (0.69) HTTALDH1A1TDP1SIGMAR1KMT2A
SCHEMBL29043226 0.75 KMT2A (0.56) HTTALDH1A1TDP1KMT2APOLB
SCHEMBL28919028 0.74 PKM (0.51) HTTALDH1A1TDP1KMT2APOLB
SCHEMBL546627 0.73 HTT (0.77) HTTALDH1A1NPSR1TDP1POLB
SCHEMBL21044234 0.73 HTT (0.70) HTTALDH1A1NPSR1TDP1POLB

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-3743421-A1 COMPOUNDS Oxford University Innovation Limited (GB) 2020-12-02 — — EP claimed
WO-2019145718-A1 COMPOUNDS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2019-08-01 — — WO claimed
EP-3743421-A1 COMPOUNDS Oxford University Innovation Limited (GB) 2020-12-02 — — EP disclosed
WO-2019145718-A1 COMPOUNDS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2019-08-01 — — WO disclosed
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