SCHEMBL11824826

SCHEMBL11824826

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SLC18A3 Q16572 1/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ PTAFR P25105 1/20 0.36
▸ HTR1D P28221 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NOX1 Q9Y5S8 1/20 0.36
▸ TSHR P16473 3/20 0.36
▸ RECQL P46063 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL11819381 0.87 MEN1 (0.39) SLC18A3MEN1KMT2ANPC1RAB9A
SCHEMBL11825838 0.86 PTGS2 (0.38) PTGS2KDM4ESMN1; SMN2SLC18A3ADRA1D
SCHEMBL11411007 0.84 MEN1 (0.39) SLC18A3MEN1KMT2ANPC1RAB9A
SCHEMBL11379075 0.83 SLC18A3 (0.44) SLC18A3MEN1KMT2ANPC1RAB9A
SCHEMBL11713942 0.80 KMT2A (0.40) SMN1; SMN2SLC18A3MEN1KMT2ANPC1
SCHEMBL10578153 0.76 ADRA1D (0.44) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL11826491 0.76 SCN1A (0.44) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL10581723 0.75 MEN1 (0.41) ADRA1DPTAFRHTR1DHTR2CADRA1B
Hydrochloric Acid SCHEMBL10582208 0.75 ADRA1D (0.43) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL28606066 0.74 ADRA1D (0.52) ADRA1DPTAFRHTR1DHTR2CADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3974178-A POLYESTER, POLYAMIDE, POLYACRYLONITRILE SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-08-10 — — US disclosed
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