SCHEMBL11379075

SCHEMBL11379075

CCC(CN(CC)c1ccccc1)OC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 1/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NOX1 Q9Y5S8 1/20 0.42
▸ TSHR P16473 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ CNR2 P34972 2/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ MMP12 P39900 1/20 0.39
▸ MAPT P10636 1/20 0.37
▸ NPY1R P25929 1/20 0.37
▸ NPY2R P49146 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL11713942 0.88 KMT2A (0.40) SLC18A3MEN1KMT2ANPC1RAB9A
SCHEMBL11819381 0.87 MEN1 (0.39) SLC18A3MEN1KMT2ANPC1RAB9A
SCHEMBL11411007 0.87 MEN1 (0.39) SLC18A3MEN1KMT2ANPC1RAB9A
SCHEMBL11676202 0.85 CNR2 (0.44) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL11825775 0.84 TP53 (0.41) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL11826491 0.83 SCN1A (0.44) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL11829453 0.83 SLC18A3 (0.45) SLC18A3NPC1RAB9ATSHRALDH1A1
SCHEMBL11670540 0.83 TDP1 (0.40) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL11680348 0.83 MEN1 (0.51) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL11824826 0.83 PTGS2 (0.38) SLC18A3MEN1KMT2ANPC1RAB9A

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-0026596-A1 Disperse monoazo dyestuffs, their preparation and use for dyeing synthetic textile materials IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-04-08 — — EP disclosed
US-3974178-A POLYESTER, POLYAMIDE, POLYACRYLONITRILE SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-08-10 — — US disclosed
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