SCHEMBL3818290

SCHEMBL3818290

CCN(CC)C(=O)COCCc1ccc2c(c1)OCCO2

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ HPGD P15428 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ LMNA P02545 3/20 0.41
▸ THRB P10828 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 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
SCHEMBL3815987 0.81 TSHR (0.50) HTTMAPTALDH1A1HPGDNPC1
SCHEMBL3809815 0.76 BIRC5 (0.43) HTTMAPTALDH1A1
SCHEMBL3811595 0.76 TRPM8 (0.46) MAPTALDH1A1HPGDNPC1RAB9A
Hydrochloric Acid SCHEMBL3813266 0.75 BIRC5 (0.42) HTTMAPTALDH1A1
SCHEMBL9425573 0.75 TRPM8 (0.64) ALDH1A1HPGDKMT2AHSD17B10LMNA
SCHEMBL27467672 0.75 ATM (0.50) HTTMAPTALDH1A1HPGDNPC1
SCHEMBL6769310 0.74 SIGMAR1 (0.47) ALDH1A1SLC6A2SLC6A4
SCHEMBL3808077 0.74 ALDH1A1 (0.39) ALDH1A1SLC6A2SLC6A4
SCHEMBL3812391 0.73 CYP3A4 (0.54) HTTALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL3810164 0.72 LMNA (0.46) MAPTALDH1A1NPC1RAB9ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1186594-B1 N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME TOYAMA CHEMICAL CO LTD (JP) 2009-08-05 — — EP disclosed
US-6797726-B1 N-alkoxyalkyl-N,N-dialkylamine derivatives or salts thereof, and remedies for nerve degeneration diseases containing the same TOYAMA CHEMICAL CO., LTD. (JP) 2004-09-28 — — US disclosed
EP-1186594-A1 N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 2002-03-13 — — EP disclosed
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