SCHEMBL11825838

SCHEMBL11825838

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ SLC18A3 Q16572 1/20 0.37
▸ ADRA1D P25100 1/20 0.37
▸ PTAFR P25105 1/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ ADRA1B P35368 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ TMEM97 Q5BJF2 1/20 0.37
▸ TSHR P16473 3/20 0.36
▸ RECQL P46063 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KCNH2 Q12809 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
SCHEMBL11824826 0.86 PTGS2 (0.38) PTGS2KDM4ESMN1; SMN2SLC18A3ADRA1D
SCHEMBL11819418 0.85 MMP12 (0.38) KDM4ESLC18A3MEN1KMT2AL3MBTL1
SCHEMBL11829453 0.82 SLC18A3 (0.45) KDM4ESMN1; SMN2SLC18A3TSHRL3MBTL1
SCHEMBL11827528 0.80 POLB (0.50) KDM4ESMN1; SMN2KMT2A
SCHEMBL11834084 0.80 PTGS2 (0.39) PTGS2KDM4ESMN1; SMN2SLC18A3RECQL
SCHEMBL10581723 0.78 MEN1 (0.41) ADRA1DPTAFRHTR1DHTR2CADRA1B
Hydrochloric Acid SCHEMBL10582528 0.77 TSHR (0.42) SMN1; SMN2ADRA1DPTAFRHTR1DHTR2C
SCHEMBL11822953 0.77 MMP12 (0.38) KDM4ESMN1; SMN2SLC18A3MEN1KMT2A
SCHEMBL10578153 0.77 ADRA1D (0.44) ADRA1DPTAFRHTR1DHTR2CADRA1B
Hydrochloric Acid SCHEMBL10582208 0.76 ADRA1D (0.43) 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
Send feedback