SCHEMBL8723163

SCHEMBL8723163

CCCCCCCCc1ccc(OC(O)CCCCO)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ CASP1 P29466 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ SLCO1B3 Q9NPD5 1/20 0.51
▸ SLCO1B1 Q9Y6L6 1/20 0.51
▸ SPHK1 Q9NYA1 5/20 0.50
▸ S1PR1 P21453 4/20 0.47
▸ PPARA Q07869 1/20 0.47
▸ ESR1 P03372 2/20 0.46
▸ ADRA2A P08913 2/20 0.46
▸ ADORA3 P0DMS8 2/20 0.46
▸ TACR2 P21452 2/20 0.46
▸ SLC6A2 P23975 2/20 0.46
▸ SLC6A4 P31645 2/20 0.46

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
SCHEMBL28158761 0.96 ALDH1A1 (0.52) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL14889251 0.85 ALDH1A1 (0.52) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL9446643 0.82 ALDH1A1 (0.64) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL8197685 0.81 ALDH1A1 (0.48) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL29769281 0.80 MEN1 (0.69) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL29060495 0.80 MEN1 (0.69) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL27095770 0.80 MEN1 (0.69) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL29508346 0.80 MEN1 (0.69) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL10929763 0.79 LMNA (0.69) ALDH1A1LMNACYP3A4MEN1KMT2A
SCHEMBL9512491 0.79 LMNA (0.69) ALDH1A1LMNACYP3A4MEN1KMT2A

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-5833756-A EXTRACTING POLLUTANT USING MICROEMULSION COMPRISING WATER, AN APOLAR HYDROPHOBIC SOLVENT, AND A SURFACTANT, SEPARATING CLEANED SOLID MATERIAL, SEPARATING POLLUTANT-CONTAINING EMULSION INTO SURFACTANT-RICH AND POLLUTANT-CONTAINING PHASES FORSCHUNGSZENTRUM JULICH GMBH (DE) 1998-11-10 — — US claimed
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